5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol

C35H32N4O — CID 171580210

IUPAC5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
SMILES[C-]#[N+]c1cc(-c2ccc3c(C(C)(C)C)ccc(O)c3n2)cc2c1C(C)(C)c1ccccc1N2c1cc(C)ccn1
InChIInChI=1S/C35H32N4O/c1-21-16-17-37-31(18-21)39-28-11-9-8-10-25(28)35(5,6)32-27(36-7)19-22(20-29(32)39)26-14-12-23-24(34(2,3)4)13-15-30(40)33(23)38-26/h8-20,40H,1-6H3
InChIKeyFDAWPUIYFUXQDU-UHFFFAOYSA-N
MW524.67 g/mol
LogP9.27
Rot. Bonds2

About 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol

5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol (PubChem CID 171580210) has the molecular formula C35H32N4O and a molecular weight of 524.67 g/mol. Its IUPAC name is 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
PubChem CID171580210
Molecular FormulaC35H32N4O
Molecular Weight524.67 g/mol
Exact Mass524.26
IUPAC Name5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
SMILES[C-]#[N+]c1cc(-c2ccc3c(C(C)(C)C)ccc(O)c3n2)cc2c1C(C)(C)c1ccccc1N2c1cc(C)ccn1
InChIInChI=1S/C35H32N4O/c1-21-16-17-37-31(18-21)39-28-11-9-8-10-25(28)35(5,6)32-27(36-7)19-22(20-29(32)39)26-14-12-23-24(34(2,3)4)13-15-30(40)33(23)38-26/h8-20,40H,1-6H3
InChIKeyFDAWPUIYFUXQDU-UHFFFAOYSA-N
XLogP9.27
TPSA53.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-2-[6,9,9-trimethyl-10-[5-(N-phenylanilino)-2-pyridinyl]acridin-3-yl]quinolin-8-ol
CID 171580025
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)-4H-acridin-4-id-3-yl]-5-(trifluoromethyl)quinolin-8-ol;platinum
CID 171580331
5-tert-butyl-2-[9,9-dimethyl-10-(5-methyl-2-pyridinyl)-6-propan-2-ylacridin-3-yl]quinolin-8-ol
CID 171579955
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-8-hydroxyquinoline-4-carbonitrile
CID 171579963
2-[5-(4-tert-butyl-2-pyridinyl)-10,10-dimethylbenzo[b][1,5]naphthyridin-7-yl]quinolin-8-ol
CID 171579912
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]acridin-3-yl]-4-methoxyquinolin-8-ol
CID 171580112
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]-7-phenylquinoline-8-thiol
CID 171580328
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)-4H-acridin-4-id-3-yl]-5-(N-phenylanilino)quinolin-8-ol;platinum
CID 171579771

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol?
The IUPAC name of 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol (CID 171580210) is 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol.
What is the SMILES notation for 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol?
The canonical SMILES for 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol is [C-]#[N+]c1cc(-c2ccc3c(C(C)(C)C)ccc(O)c3n2)cc2c1C(C)(C)c1ccccc1N2c1cc(C)ccn1.
What is the InChIKey of 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol?
The InChIKey is FDAWPUIYFUXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O/c1-21-16-17-37-31(18-21)39-28-11-9-8-10-25(28)35(5,6)32-27(36-7)19-22(20-29(32)39)26-14-12-23-24(34(2,3)4)13-15-30(40)33(23)38-26/h8-20,40H,1-6H3.
What are the key properties of 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol?
5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol has a molecular weight of 524.67 g/mol, XLogP of 9.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[1-isocyano-9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol is sourced from PubChem (CID 171580210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).