ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline

C135H189N13O3 — CID 157458936

IUPACethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2c1NC(=O)CO2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12
InChIInChI=1S/6C12H13N.2C11H12N2.C11H15NO.C10H12N2O2.10C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)7-3-4-11-10-9(7)12-8(13)5-14-10;10*1-2/h6*3-9H,1-2H3;2*3-8H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3,(H,12,13);10*1-2H3
InChIKeyBTRQXVSUZDNQDW-UHFFFAOYSA-N
MW2042.08 g/mol
LogP40.07
Rot. Bonds10

About ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline

ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline (PubChem CID 157458936) has the molecular formula C135H189N13O3 and a molecular weight of 2042.08 g/mol. Its IUPAC name is ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline.

Molecular Properties

Compound Nameethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline
PubChem CID157458936
Molecular FormulaC135H189N13O3
Molecular Weight2042.08 g/mol
Exact Mass2040.50
IUPAC Nameethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2c1NC(=O)CO2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12
InChIInChI=1S/6C12H13N.2C11H12N2.C11H15NO.C10H12N2O2.10C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)7-3-4-11-10-9(7)12-8(13)5-14-10;10*1-2/h6*3-9H,1-2H3;2*3-8H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3,(H,12,13);10*1-2H3
InChIKeyBTRQXVSUZDNQDW-UHFFFAOYSA-N
XLogP40.07
TPSA201.38 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002042.08
LogP ≤ 540.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline with MolForge

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Launch Full Analysis

Related Compounds

6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 10452875
(E)-N-({Methyl-[3-(2-methyl-quinolin-8-yloxymethyl)-2,4-bis-((E)-2-pyridin-4-yl-vinyl)-phenyl]-carbamoyl}-methyl)-3-[6-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yl]-acrylamide
CID 44360968
(E)-N-[[1-[3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis[(E)-2-pyridin-4-ylethenyl]phenyl]pyrrol-2-yl]methyl]-3-[6-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]prop-2-enamide;trihydrochloride
CID 45262275
2-(Naphthalen-2-yloxy)-N-quinolin-8-yl-acetamide
CID 598857
2-(2,3-dimethylphenoxy)-N-(quinolin-8-yl)acetamide
CID 935116
N-(2-methyl-6-morpholin-4-ylphenyl)-2-quinolin-8-yloxyacetamide
CID 137644815
6-[2-amino-2-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 177642345
2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide
CID 2219009
6-(4-fluoro-3-methylphenyl)-7-quinolin-6-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 90095747
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-quinolin-8-yloxyacetamide;N-[2-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]-2-quinolin-8-yloxyacetamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,1,1-trifluoropropan-2-ylamino)propyl]-2-quinolin-8-yloxyacetamide
CID 157404366
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-quinolin-8-yloxyacetamide;N-[2-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)propyl]-2-quinolin-8-yloxyacetamide;N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylpropyl]-2-quinolin-8-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,1,1-trifluoropropan-2-ylamino)propyl]-2-quinolin-8-yloxyacetamide
CID 160314446
2-[[27-[2-oxo-2-(quinolin-3-ylamino)ethoxy]-26,28-dipropoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]-N-quinolin-3-ylacetamide
CID 101582233

Frequently Asked Questions

What is the IUPAC name of ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The IUPAC name of ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline (CID 157458936) is ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline.
What is the SMILES notation for ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The canonical SMILES for ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2c(c1)OCCN2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ncccc12.CC(C)c1ccnc2c1NC(=O)CO2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.
What is the InChIKey of ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The InChIKey is BTRQXVSUZDNQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H13N.2C11H12N2.C11H15NO.C10H12N2O2.10C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-6(2)7-3-4-11-10-9(7)12-8(13)5-14-10;10*1-2/h6*3-9H,1-2H3;2*3-8H,1-2H3;3-4,7-8,12H,5-6H2,1-2H3;3-4,6H,5H2,1-2H3,(H,12,13);10*1-2H3.
What are the key properties of ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline has a molecular weight of 2042.08 g/mol, XLogP of 40.07, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;4-propan-2-ylisoquinoline;4-propan-2-yl-1,5-naphthyridine;8-propan-2-yl-1H-pyrido[2,3-b][1,4]oxazin-2-one;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;6-propan-2-ylquinoxaline is sourced from PubChem (CID 157458936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).