4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide

C19H13N5O2 — CID 135691110

IUPAC4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide
SMILESO=C(N/N=C/c1ccc2cccnc2c1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H13N5O2/c25-18-14-5-1-2-6-15(14)22-17(23-18)19(26)24-21-11-12-7-8-13-4-3-9-20-16(13)10-12/h1-11H,(H,24,26)(H,22,23,25)/b21-11+
InChIKeyZCCCURVFSCDMQQ-SRZZPIQSSA-N
MW343.35 g/mol
LogP2.24
Rot. Bonds3

About 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide

4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide (PubChem CID 135691110) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide
PubChem CID135691110
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide
SMILESO=C(N/N=C/c1ccc2cccnc2c1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H13N5O2/c25-18-14-5-1-2-6-15(14)22-17(23-18)19(26)24-21-11-12-7-8-13-4-3-9-20-16(13)10-12/h1-11H,(H,24,26)(H,22,23,25)/b21-11+
InChIKeyZCCCURVFSCDMQQ-SRZZPIQSSA-N
XLogP2.24
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide?
The IUPAC name of 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide (CID 135691110) is 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide is O=C(N/N=C/c1ccc2cccnc2c1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide?
The InChIKey is ZCCCURVFSCDMQQ-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H13N5O2/c25-18-14-5-1-2-6-15(14)22-17(23-18)19(26)24-21-11-12-7-8-13-4-3-9-20-16(13)10-12/h1-11H,(H,24,26)(H,22,23,25)/b21-11+.
What are the key properties of 4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide?
4-oxo-N-[(E)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.24, 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)-quinolin-7-ylmethylideneamino]-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135691110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).