4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine

C21H17N5 — CID 52509582

IUPAC4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1cccnc1
InChIInChI=1S/C21H17N5/c1-15(17-10-7-13-22-14-17)25-26-21-23-19-12-6-5-11-18(19)20(24-21)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,24,26)/b25-15+
InChIKeyMJITWKZRUFJVTF-MFKUBSTISA-N
MW339.40 g/mol
LogP4.53
Rot. Bonds4

About 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine

4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine (PubChem CID 52509582) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine
PubChem CID52509582
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine
SMILESC/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1cccnc1
InChIInChI=1S/C21H17N5/c1-15(17-10-7-13-22-14-17)25-26-21-23-19-12-6-5-11-18(19)20(24-21)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,24,26)/b25-15+
InChIKeyMJITWKZRUFJVTF-MFKUBSTISA-N
XLogP4.53
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
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-methyl-N-(1-pyridin-3-ylethylideneamino)quinoxalin-2-amine
CID 2866223
5,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,2,4-triazin-3-amine
CID 5333742
N-(1-pyridin-3-ylethylideneamino)-1,3-benzothiazol-2-amine
CID 4283631
6-methyl-4-phenyl-N-pyridin-3-ylquinazolin-2-amine
CID 4714222
5-phenyl-N-(1-phenylethylideneamino)pyrimidin-2-amine
CID 4714117
6-methyl-4-phenyl-N-(pyridin-3-ylmethyl)quinazolin-2-amine
CID 25337273
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
CID 15352710
2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
CID 23937673
2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 25237307
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4694326
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine?
The IUPAC name of 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine (CID 52509582) is 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine.
What is the SMILES notation for 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine?
The canonical SMILES for 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine is C/C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)c1cccnc1.
What is the InChIKey of 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine?
The InChIKey is MJITWKZRUFJVTF-MFKUBSTISA-N. The full InChI is InChI=1S/C21H17N5/c1-15(17-10-7-13-22-14-17)25-26-21-23-19-12-6-5-11-18(19)20(24-21)16-8-3-2-4-9-16/h2-14H,1H3,(H,23,24,26)/b25-15+.
What are the key properties of 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine?
4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine has a molecular weight of 339.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]quinazolin-2-amine is sourced from PubChem (CID 52509582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).