N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide

C16H10Cl2N4O2 — CID 135538489

IUPACN-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NN=Cc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H10Cl2N4O2/c17-10-5-6-12(18)9(7-10)8-19-22-16(24)14-20-13-4-2-1-3-11(13)15(23)21-14/h1-8H,(H,22,24)(H,20,21,23)
InChIKeyNBYBNYZYDVUNGN-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.99
Rot. Bonds3

About N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide

N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135538489) has the molecular formula C16H10Cl2N4O2 and a molecular weight of 361.19 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135538489
Molecular FormulaC16H10Cl2N4O2
Molecular Weight361.19 g/mol
Exact Mass360.02
IUPAC NameN-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NN=Cc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H10Cl2N4O2/c17-10-5-6-12(18)9(7-10)8-19-22-16(24)14-20-13-4-2-1-3-11(13)15(23)21-14/h1-8H,(H,22,24)(H,20,21,23)
InChIKeyNBYBNYZYDVUNGN-UHFFFAOYSA-N
XLogP2.99
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.99
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-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135788637
N-(benzylideneamino)-4-oxo-3H-quinazoline-2-carboxamide
CID 135449642
N-[(Z)-(2-chlorophenyl)methylideneamino]-6-nitro-4-oxo-3H-quinazoline-2-carboxamide
CID 135788542
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
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 137300044
(E)-3-(2,5-dichlorophenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135651687
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781512
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-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176992
N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 70121828
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide (CID 135538489) is N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide is O=C(NN=Cc1cc(Cl)ccc1Cl)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is NBYBNYZYDVUNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O2/c17-10-5-6-12(18)9(7-10)8-19-22-16(24)14-20-13-4-2-1-3-11(13)15(23)21-14/h1-8H,(H,22,24)(H,20,21,23).
What are the key properties of N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 361.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135538489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).