4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide

C15H11N5O2 — CID 135691092

IUPAC4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide
SMILESO=C(N/N=C/c1ccncc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H11N5O2/c21-14-11-3-1-2-4-12(11)18-13(19-14)15(22)20-17-9-10-5-7-16-8-6-10/h1-9H,(H,20,22)(H,18,19,21)/b17-9+
InChIKeyMDZQPXZRPVVIJO-RQZCQDPDSA-N
MW293.29 g/mol
LogP1.08
Rot. Bonds3

About 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide

4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide (PubChem CID 135691092) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide
PubChem CID135691092
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide
SMILESO=C(N/N=C/c1ccncc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H11N5O2/c21-14-11-3-1-2-4-12(11)18-13(19-14)15(22)20-17-9-10-5-7-16-8-6-10/h1-9H,(H,20,22)(H,18,19,21)/b17-9+
InChIKeyMDZQPXZRPVVIJO-RQZCQDPDSA-N
XLogP1.08
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.08
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

N-(benzylideneamino)-4-oxo-3H-quinazoline-2-carboxamide
CID 135449642
N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135691087
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135788637
N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135538489
deca-1,2,3,4,5,6,7,8,9-nonaene;hepta-1,2,3,4,5,6-hexaene;4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide
CID 176528007
N-[(E)-pyridin-4-ylmethylideneamino]quinoline-2-carboxamide
CID 6906634
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
N-(benzylideneamino)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135439186
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781521
2-pyridin-1-ium-4-yl-N-(pyridin-4-ylmethylideneamino)quinoline-4-carboxamide
CID 135505088
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137007136
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide (CID 135691092) is 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide is O=C(N/N=C/c1ccncc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide?
The InChIKey is MDZQPXZRPVVIJO-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11N5O2/c21-14-11-3-1-2-4-12(11)18-13(19-14)15(22)20-17-9-10-5-7-16-8-6-10/h1-9H,(H,20,22)(H,18,19,21)/b17-9+.
What are the key properties of 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide?
4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135691092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).