N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine

C29H27N3O — CID 6018983

IUPACN-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine
SMILESCc1ccc2/c(=N/Nc3ccc4ccccc4n3)cc(-c3ccc(C(C)(C)C)cc3)oc2c1
InChIInChI=1S/C29H27N3O/c1-19-9-15-23-25(31-32-28-16-12-20-7-5-6-8-24(20)30-28)18-26(33-27(23)17-19)21-10-13-22(14-11-21)29(2,3)4/h5-18H,1-4H3,(H,30,32)/b31-25+
InChIKeySAVLGVRUYOFSHN-QCKNELIISA-N
MW433.56 g/mol
LogP7.18
Rot. Bonds3

About N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine

N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine (PubChem CID 6018983) has the molecular formula C29H27N3O and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine
PubChem CID6018983
Molecular FormulaC29H27N3O
Molecular Weight433.56 g/mol
Exact Mass433.22
IUPAC NameN-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine
SMILESCc1ccc2/c(=N/Nc3ccc4ccccc4n3)cc(-c3ccc(C(C)(C)C)cc3)oc2c1
InChIInChI=1S/C29H27N3O/c1-19-9-15-23-25(31-32-28-16-12-20-7-5-6-8-24(20)30-28)18-26(33-27(23)17-19)21-10-13-22(14-11-21)29(2,3)4/h5-18H,1-4H3,(H,30,32)/b31-25+
InChIKeySAVLGVRUYOFSHN-QCKNELIISA-N
XLogP7.18
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine 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

N-[(Z)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]aniline
CID 7730745
N-[[2-(4-tert-butylphenyl)chromen-4-ylidene]amino]quinolin-1-ium-2-amine
CID 135537970
N-[(E)-[2-(4-chlorophenyl)-7-methylchromen-4-ylidene]amino]-4,6-dimethylpyrimidin-2-amine
CID 6300670
N-[(E)-[6-ethyl-2-(4-methylphenyl)chromen-4-ylidene]amino]-1H-benzimidazol-2-amine
CID 6002699
N-[(E)-(6,7-dimethyl-2-phenylchromen-4-ylidene)amino]-1,3-benzothiazol-2-amine
CID 6303725
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]quinolin-2-amine
CID 29250260
2-(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)furo[3,2-b]pyridine
CID 155628492
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
N-[(Z)-[2-(4-methoxyphenyl)-6,7-dimethylchromen-4-ylidene]amino]aniline
CID 7730775
2,6-bis(4-tert-butylphenyl)furo[2,3-f][1]benzofuran
CID 102326421
6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine
CID 171422549

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine?
The IUPAC name of N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine (CID 6018983) is N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine.
What is the SMILES notation for N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine?
The canonical SMILES for N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine is Cc1ccc2/c(=N/Nc3ccc4ccccc4n3)cc(-c3ccc(C(C)(C)C)cc3)oc2c1.
What is the InChIKey of N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine?
The InChIKey is SAVLGVRUYOFSHN-QCKNELIISA-N. The full InChI is InChI=1S/C29H27N3O/c1-19-9-15-23-25(31-32-28-16-12-20-7-5-6-8-24(20)30-28)18-26(33-27(23)17-19)21-10-13-22(14-11-21)29(2,3)4/h5-18H,1-4H3,(H,30,32)/b31-25+.
What are the key properties of N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine?
N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine has a molecular weight of 433.56 g/mol, XLogP of 7.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(4-tert-butylphenyl)-7-methylchromen-4-ylidene]amino]quinolin-2-amine is sourced from PubChem (CID 6018983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).