2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile

C34H30N4O — CID 171579963

IUPAC2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
SMILESCC(C)(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(-c4cc(C#N)c5cccc(O)c5n4)cc32)c1
InChIInChI=1S/C34H30N4O/c1-33(2,3)23-15-16-36-31(19-23)38-28-11-7-6-10-25(28)34(4,5)26-14-13-21(18-29(26)38)27-17-22(20-35)24-9-8-12-30(39)32(24)37-27/h6-19,39H,1-5H3
InChIKeyMVMZHIXEMYEPMY-UHFFFAOYSA-N
MW510.64 g/mol
LogP8.28
Rot. Bonds2

About 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile

2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile (PubChem CID 171579963) has the molecular formula C34H30N4O and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
PubChem CID171579963
Molecular FormulaC34H30N4O
Molecular Weight510.64 g/mol
Exact Mass510.24
IUPAC Name2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
SMILESCC(C)(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(-c4cc(C#N)c5cccc(O)c5n4)cc32)c1
InChIInChI=1S/C34H30N4O/c1-33(2,3)23-15-16-36-31(19-23)38-28-11-7-6-10-25(28)34(4,5)26-14-13-21(18-29(26)38)27-17-22(20-35)24-9-8-12-30(39)32(24)37-27/h6-19,39H,1-5H3
InChIKeyMVMZHIXEMYEPMY-UHFFFAOYSA-N
XLogP8.28
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol
CID 171579912
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
CID 171579740
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine
CID 171579859
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
CID 171580112
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
15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol
CID 171580001
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]-8-hydroxyquinoline-5-carbonitrile;platinum
CID 171580065
5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580210
5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol
CID 171580025

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile?
The IUPAC name of 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile (CID 171579963) is 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile.
What is the SMILES notation for 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile?
The canonical SMILES for 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile is CC(C)(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(-c4cc(C#N)c5cccc(O)c5n4)cc32)c1.
What is the InChIKey of 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile?
The InChIKey is MVMZHIXEMYEPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O/c1-33(2,3)23-15-16-36-31(19-23)38-28-11-7-6-10-25(28)34(4,5)26-14-13-21(18-29(26)38)27-17-22(20-35)24-9-8-12-30(39)32(24)37-27/h6-19,39H,1-5H3.
What are the key properties of 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile?
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile has a molecular weight of 510.64 g/mol, XLogP of 8.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile is sourced from PubChem (CID 171579963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).