2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol

C32H30N4O — CID 171579912

IUPAC2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol
SMILESCC(C)(C)c1ccnc(N2c3cc(-c4ccc5cccc(O)c5n4)ccc3C(C)(C)c3ncccc32)c1
InChIInChI=1S/C32H30N4O/c1-31(2,3)22-15-17-33-28(19-22)36-25-9-7-16-34-30(25)32(4,5)23-13-11-21(18-26(23)36)24-14-12-20-8-6-10-27(37)29(20)35-24/h6-19,37H,1-5H3
InChIKeyAPLGGKXIMANKNF-UHFFFAOYSA-N
MW486.62 g/mol
LogP7.80
Rot. Bonds2

About 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol

2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol (PubChem CID 171579912) has the molecular formula C32H30N4O and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol
PubChem CID171579912
Molecular FormulaC32H30N4O
Molecular Weight486.62 g/mol
Exact Mass486.24
IUPAC Name2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol
SMILESCC(C)(C)c1ccnc(N2c3cc(-c4ccc5cccc(O)c5n4)ccc3C(C)(C)c3ncccc32)c1
InChIInChI=1S/C32H30N4O/c1-31(2,3)22-15-17-33-28(19-22)36-25-9-7-16-34-30(25)32(4,5)23-13-11-21(18-26(23)36)24-14-12-20-8-6-10-27(37)29(20)35-24/h6-19,37H,1-5H3
InChIKeyAPLGGKXIMANKNF-UHFFFAOYSA-N
XLogP7.80
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol with MolForge

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Related Compounds

2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine
CID 171579859
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]-7-phenylquinoline-8-thiol
CID 171580328
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580134
2-[10-(4-propan-2-yl-2-pyridinyl)-5-(2,4,6-trimethylphenyl)phenazin-2-yl]quinolin-8-ol
CID 171580286
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
CID 171579740
5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol
CID 171580025
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580210

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol?
The IUPAC name of 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol (CID 171579912) is 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol.
What is the SMILES notation for 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol?
The canonical SMILES for 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol is CC(C)(C)c1ccnc(N2c3cc(-c4ccc5cccc(O)c5n4)ccc3C(C)(C)c3ncccc32)c1.
What is the InChIKey of 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol?
The InChIKey is APLGGKXIMANKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O/c1-31(2,3)22-15-17-33-28(19-22)36-25-9-7-16-34-30(25)32(4,5)23-13-11-21(18-26(23)36)24-14-12-20-8-6-10-27(37)29(20)35-24/h6-19,37H,1-5H3.
What are the key properties of 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol?
2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol has a molecular weight of 486.62 g/mol, XLogP of 7.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol is sourced from PubChem (CID 171579912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).