tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one

C213H231N21O18 — CID 163684574

IUPACtetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cccnc2cc1O.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1cc2ncccc2cc1O.CC(C)c1cc2ncccc2cc1O.CC(C)c1nc2ccccc2[nH]c1=O.CC(C)c1nc2ccccc2cc1O.CC(C)c1nc2ccccc2cc1O.CC(C)c1nc2cccnc2cc1O.CC(C)c1nc2ccncc2cc1O.CC(C)c1nc2ncccc2cc1O
InChIInChI=1S/4C13H14O.7C12H13NO.7C11H12N2O/c4*1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;2*1-8(2)10-7-11-9(6-12(10)14)4-3-5-13-11;1-8(2)10-6-9-4-3-5-13-11(9)7-12(10)14;2*1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;2*1-8(2)12-11(14)7-9-5-3-4-6-10(9)13-12;1-7(2)11-10(14)5-8-6-12-4-3-9(8)13-11;1-7(2)9-5-8-3-4-12-6-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10;1-7(2)11-10(14)6-9-8(13-11)4-3-5-12-9;1-7(2)10-9(14)6-8-4-3-5-12-11(8)13-10;1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h4*3-9,14H,1-2H3;3*3-8,14H,1-2H3;2*3-8H,1-2H3,(H,13,14);2*3-8,14H,1-2H3;3-7,14H,1-2H3;2*3-7H,1-2H3,(H,13,14);2*3-7,14H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14)
InChIKeyJNSMGUKNYSKSGI-UHFFFAOYSA-N
MW3373.32 g/mol
LogP50.86
Rot. Bonds18

About tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one

tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one (PubChem CID 163684574) has the molecular formula C213H231N21O18 and a molecular weight of 3373.32 g/mol. Its IUPAC name is tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Nametetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one
PubChem CID163684574
Molecular FormulaC213H231N21O18
Molecular Weight3373.32 g/mol
Exact Mass3370.78
IUPAC Nametetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cccnc2cc1O.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1cc2ncccc2cc1O.CC(C)c1cc2ncccc2cc1O.CC(C)c1nc2ccccc2[nH]c1=O.CC(C)c1nc2ccccc2cc1O.CC(C)c1nc2ccccc2cc1O.CC(C)c1nc2cccnc2cc1O.CC(C)c1nc2ccncc2cc1O.CC(C)c1nc2ncccc2cc1O
InChIInChI=1S/4C13H14O.7C12H13NO.7C11H12N2O/c4*1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;2*1-8(2)10-7-11-9(6-12(10)14)4-3-5-13-11;1-8(2)10-6-9-4-3-5-13-11(9)7-12(10)14;2*1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;2*1-8(2)12-11(14)7-9-5-3-4-6-10(9)13-12;1-7(2)11-10(14)5-8-6-12-4-3-9(8)13-11;1-7(2)9-5-8-3-4-12-6-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10;1-7(2)11-10(14)6-9-8(13-11)4-3-5-12-9;1-7(2)10-9(14)6-8-4-3-5-12-11(8)13-10;1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h4*3-9,14H,1-2H3;3*3-8,14H,1-2H3;2*3-8H,1-2H3,(H,13,14);2*3-8,14H,1-2H3;3-7,14H,1-2H3;2*3-7H,1-2H3,(H,13,14);2*3-7,14H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14)
InChIKeyJNSMGUKNYSKSGI-UHFFFAOYSA-N
XLogP50.86
TPSA633.27 Ų
H-Bond Donors18
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003373.32
LogP ≤ 550.86
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1033

Analyze tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-propan-2-ylquinolin-6-ol
CID 58826991
3-hydroxy-1H-1,7-naphthyridin-2-one;hydrobromide
CID 135937902
N-methyl-1H-pyrrolo[3,2-b]pyridin-2-amine;N-methyl-1H-pyrrolo[2,3-c]pyridin-2-amine
CID 155726928
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one
CID 160764083
6,7-di(propan-2-yl)quinoline;ethane
CID 157071831
6-propan-2-yl-8H-pyrido[2,3-c]pyridazin-7-one
CID 162777650
2-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 122543721
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
3-hydroxy-1H-quinolin-2-one
CID 818159
3-hydroxy-1H-quinolin-2-one
CID 162237175
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
N-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 141390644

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one?
The IUPAC name of tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one (CID 163684574) is tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one is CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2ccccc2cc1O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1cc2cccnc2cc1O.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.CC(C)c1cc2ncccc2cc1O.CC(C)c1cc2ncccc2cc1O.CC(C)c1nc2ccccc2[nH]c1=O.CC(C)c1nc2ccccc2cc1O.CC(C)c1nc2ccccc2cc1O.CC(C)c1nc2cccnc2cc1O.CC(C)c1nc2ccncc2cc1O.CC(C)c1nc2ncccc2cc1O.
What is the InChIKey of tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one?
The InChIKey is JNSMGUKNYSKSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H14O.7C12H13NO.7C11H12N2O/c4*1-9(2)12-7-10-5-3-4-6-11(10)8-13(12)14;2*1-8(2)10-7-11-9(6-12(10)14)4-3-5-13-11;1-8(2)10-6-9-4-3-5-13-11(9)7-12(10)14;2*1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;2*1-8(2)12-11(14)7-9-5-3-4-6-10(9)13-12;1-7(2)11-10(14)5-8-6-12-4-3-9(8)13-11;1-7(2)9-5-8-3-4-12-6-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10;1-7(2)11-10(14)6-9-8(13-11)4-3-5-12-9;1-7(2)10-9(14)6-8-4-3-5-12-11(8)13-10;1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;1-7(2)10-11(14)13-9-6-4-3-5-8(9)12-10/h4*3-9,14H,1-2H3;3*3-8,14H,1-2H3;2*3-8H,1-2H3,(H,13,14);2*3-8,14H,1-2H3;3-7,14H,1-2H3;2*3-7H,1-2H3,(H,13,14);2*3-7,14H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14).
What are the key properties of tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one?
tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one has a molecular weight of 3373.32 g/mol, XLogP of 50.86, 18 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-propan-2-ylnaphthalen-2-ol);2-propan-2-yl-1,5-naphthyridin-3-ol;2-propan-2-yl-1,6-naphthyridin-3-ol;2-propan-2-yl-1,8-naphthyridin-3-ol;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;3-propan-2-yl-1H-1,8-naphthyridin-2-one;bis(2-propan-2-ylquinolin-3-ol);6-propan-2-ylquinolin-7-ol;bis(7-propan-2-ylquinolin-6-ol);bis(3-propan-2-yl-1H-quinolin-2-one);3-propan-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 163684574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).