2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile

C36H26N4O — CID 171579740

IUPAC2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)ccn2)c2cc(-c3ccc4ccc(C#N)c(O)c4n3)ccc21
InChIInChI=1S/C36H26N4O/c1-36(2)28-10-6-7-11-31(28)40(33-21-25(18-19-38-33)23-8-4-3-5-9-23)32-20-26(14-16-29(32)36)30-17-15-24-12-13-27(22-37)35(41)34(24)39-30/h3-21,41H,1-2H3
InChIKeyWPRAQHPLXBWRFA-UHFFFAOYSA-N
MW530.63 g/mol
LogP8.65
Rot. Bonds3

About 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile

2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile (PubChem CID 171579740) has the molecular formula C36H26N4O and a molecular weight of 530.63 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile.

Molecular Properties

Compound Name2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
PubChem CID171579740
Molecular FormulaC36H26N4O
Molecular Weight530.63 g/mol
Exact Mass530.21
IUPAC Name2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
SMILESCC1(C)c2ccccc2N(c2cc(-c3ccccc3)ccn2)c2cc(-c3ccc4ccc(C#N)c(O)c4n3)ccc21
InChIInChI=1S/C36H26N4O/c1-36(2)28-10-6-7-11-31(28)40(33-21-25(18-19-38-33)23-8-4-3-5-9-23)32-20-26(14-16-29(32)36)30-17-15-24-12-13-27(22-37)35(41)34(24)39-30/h3-21,41H,1-2H3
InChIKeyWPRAQHPLXBWRFA-UHFFFAOYSA-N
XLogP8.65
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 58.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580134
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-7-(2-phenylethynyl)quinolin-8-ol
CID 171580248
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]-7-phenylquinoline-8-thiol
CID 171580328
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-phenyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579988
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine
CID 171579859
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)-4H-acridin-4-id-3-yl]-7-phenylquinolin-8-ol;platinum
CID 171580032
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
CID 171580112

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile?
The IUPAC name of 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile (CID 171579740) is 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile.
What is the SMILES notation for 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile?
The canonical SMILES for 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile is CC1(C)c2ccccc2N(c2cc(-c3ccccc3)ccn2)c2cc(-c3ccc4ccc(C#N)c(O)c4n3)ccc21.
What is the InChIKey of 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile?
The InChIKey is WPRAQHPLXBWRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O/c1-36(2)28-10-6-7-11-31(28)40(33-21-25(18-19-38-33)23-8-4-3-5-9-23)32-20-26(14-16-29(32)36)30-17-15-24-12-13-27(22-37)35(41)34(24)39-30/h3-21,41H,1-2H3.
What are the key properties of 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile?
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile has a molecular weight of 530.63 g/mol, XLogP of 8.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile is sourced from PubChem (CID 171579740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).