N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine

C24H21N5 — CID 98285469

IUPACN-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine
SMILESCc1ccc2nc(N/N=C\C3=C[C@H]4C=CC=C[C@@H]4N3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C24H21N5/c1-16-11-12-22-20(13-16)23(17-7-3-2-4-8-17)28-24(27-22)29-25-15-19-14-18-9-5-6-10-21(18)26-19/h2-15,18,21,26H,1H3,(H,27,28,29)/b25-15-/t18-,21+/m1/s1
InChIKeyZQRJEROSEGFKLN-QCXSIWTBSA-N
MW379.47 g/mol
LogP4.60
Rot. Bonds4

About N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine

N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine (PubChem CID 98285469) has the molecular formula C24H21N5 and a molecular weight of 379.47 g/mol. Its IUPAC name is N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine
PubChem CID98285469
Molecular FormulaC24H21N5
Molecular Weight379.47 g/mol
Exact Mass379.18
IUPAC NameN-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine
SMILESCc1ccc2nc(N/N=C\C3=C[C@H]4C=CC=C[C@@H]4N3)nc(-c3ccccc3)c2c1
InChIInChI=1S/C24H21N5/c1-16-11-12-22-20(13-16)23(17-7-3-2-4-8-17)28-24(27-22)29-25-15-19-14-18-9-5-6-10-21(18)26-19/h2-15,18,21,26H,1H3,(H,27,28,29)/b25-15-/t18-,21+/m1/s1
InChIKeyZQRJEROSEGFKLN-QCXSIWTBSA-N
XLogP4.60
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
CID 135529630
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
N-[(2-chloro-7-ethoxyquinolin-3-yl)methylideneamino]-6-methyl-4-phenylquinazolin-2-amine
CID 2830444
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
CID 782171
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
CID 75534449
2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
CID 135521814
4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
CID 3851416
6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
CID 6184611
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491
6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 25337273
6-bromo-N-[[3-(dimethylamino)phenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 126836670

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine?
The IUPAC name of N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine (CID 98285469) is N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine?
The canonical SMILES for N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine is Cc1ccc2nc(N/N=C\C3=C[C@H]4C=CC=C[C@@H]4N3)nc(-c3ccccc3)c2c1.
What is the InChIKey of N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine?
The InChIKey is ZQRJEROSEGFKLN-QCXSIWTBSA-N. The full InChI is InChI=1S/C24H21N5/c1-16-11-12-22-20(13-16)23(17-7-3-2-4-8-17)28-24(27-22)29-25-15-19-14-18-9-5-6-10-21(18)26-19/h2-15,18,21,26H,1H3,(H,27,28,29)/b25-15-/t18-,21+/m1/s1.
What are the key properties of N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine?
N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine has a molecular weight of 379.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine is sourced from PubChem (CID 98285469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).