5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol

C37H39N3O — CID 171579955

IUPAC5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol
SMILESCc1ccc(N2c3cc(-c4ccc5c(C(C)(C)C)ccc(O)c5n4)ccc3C(C)(C)c3ccc(C(C)C)cc32)nc1
InChIInChI=1S/C37H39N3O/c1-22(2)24-10-13-28-31(19-24)40(34-18-9-23(3)21-38-34)32-20-25(11-14-29(32)37(28,7)8)30-16-12-26-27(36(4,5)6)15-17-33(41)35(26)39-30/h9-22,41H,1-8H3
InChIKeyZFMVHKQNFLTZGW-UHFFFAOYSA-N
MW541.74 g/mol
LogP9.84
Rot. Bonds3

About 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol

5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol (PubChem CID 171579955) has the molecular formula C37H39N3O and a molecular weight of 541.74 g/mol. Its IUPAC name is 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol
PubChem CID171579955
Molecular FormulaC37H39N3O
Molecular Weight541.74 g/mol
Exact Mass541.31
IUPAC Name5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol
SMILESCc1ccc(N2c3cc(-c4ccc5c(C(C)(C)C)ccc(O)c5n4)ccc3C(C)(C)c3ccc(C(C)C)cc32)nc1
InChIInChI=1S/C37H39N3O/c1-22(2)24-10-13-28-31(19-24)40(34-18-9-23(3)21-38-34)32-20-25(11-14-29(32)37(28,7)8)30-16-12-26-27(36(4,5)6)15-17-33(41)35(26)39-30/h9-22,41H,1-8H3
InChIKeyZFMVHKQNFLTZGW-UHFFFAOYSA-N
XLogP9.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol with MolForge

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Related Compounds

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
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]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol
CID 171579912
4,7-ditert-butyl-2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-2,6-di(propan-2-yl)-4H-acridin-4-id-3-yl]quinoline-8-thiolate;platinum(2+)
CID 171579897
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum
CID 171580331
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
CID 171580112
5-tert-butyl-2-methylquinolin-8-ol
CID 59538406

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol?
The IUPAC name of 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol (CID 171579955) is 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol.
What is the SMILES notation for 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol?
The canonical SMILES for 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol is Cc1ccc(N2c3cc(-c4ccc5c(C(C)(C)C)ccc(O)c5n4)ccc3C(C)(C)c3ccc(C(C)C)cc32)nc1.
What is the InChIKey of 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol?
The InChIKey is ZFMVHKQNFLTZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N3O/c1-22(2)24-10-13-28-31(19-24)40(34-18-9-23(3)21-38-34)32-20-25(11-14-29(32)37(28,7)8)30-16-12-26-27(36(4,5)6)15-17-33(41)35(26)39-30/h9-22,41H,1-8H3.
What are the key properties of 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol?
5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol has a molecular weight of 541.74 g/mol, XLogP of 9.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol is sourced from PubChem (CID 171579955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).