N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide

C16H11ClN4O2 — CID 135788637

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H11ClN4O2/c17-12-7-3-1-5-10(12)9-18-21-16(23)14-19-13-8-4-2-6-11(13)15(22)20-14/h1-9H,(H,21,23)(H,19,20,22)/b18-9-
InChIKeyDYTRTNBBQLHLDT-NVMNQCDNSA-N
MW326.74 g/mol
LogP2.34
Rot. Bonds3

About N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide

N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135788637) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135788637
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H11ClN4O2/c17-12-7-3-1-5-10(12)9-18-21-16(23)14-19-13-8-4-2-6-11(13)15(22)20-14/h1-9H,(H,21,23)(H,19,20,22)/b18-9-
InChIKeyDYTRTNBBQLHLDT-NVMNQCDNSA-N
XLogP2.34
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135538489
N-[(Z)-(2-chlorophenyl)methylideneamino]-6-nitro-4-oxo-3H-quinazoline-2-carboxamide
CID 135788542
N-(benzylideneamino)-4-oxo-3H-quinazoline-2-carboxamide
CID 135449642
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781512
4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide
CID 135691092
N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135691087
N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108208
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)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide
CID 10497390
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 137300044
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781494
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide (CID 135788637) is N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide is O=C(N/N=C\c1ccccc1Cl)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is DYTRTNBBQLHLDT-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-12-7-3-1-5-10(12)9-18-21-16(23)14-19-13-8-4-2-6-11(13)15(22)20-14/h1-9H,(H,21,23)(H,19,20,22)/b18-9-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 326.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135788637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).