N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide

C16H11FN4O2 — CID 135691087

IUPACN-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H11FN4O2/c17-11-7-5-10(6-8-11)9-18-21-16(23)14-19-13-4-2-1-3-12(13)15(22)20-14/h1-9H,(H,21,23)(H,19,20,22)/b18-9+
InChIKeySGVSURRGTKDVQF-GIJQJNRQSA-N
MW310.29 g/mol
LogP1.83
Rot. Bonds3

About N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide

N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 135691087) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID135691087
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC NameN-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(N/N=C/c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H11FN4O2/c17-11-7-5-10(6-8-11)9-18-21-16(23)14-19-13-4-2-1-3-12(13)15(22)20-14/h1-9H,(H,21,23)(H,19,20,22)/b18-9+
InChIKeySGVSURRGTKDVQF-GIJQJNRQSA-N
XLogP1.83
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 51.83
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-(benzylideneamino)-4-oxo-3H-quinazoline-2-carboxamide
CID 135449642
4-oxo-N-[(E)-pyridin-4-ylmethylideneamino]-3H-quinazoline-2-carboxamide
CID 135691092
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135788637
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135433330
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-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781521
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847750
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
(E)-3-(4-fluorophenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135454442
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137007136

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide (CID 135691087) is N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide is O=C(N/N=C/c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is SGVSURRGTKDVQF-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-11-7-5-10(6-8-11)9-18-21-16(23)14-19-13-4-2-1-3-12(13)15(22)20-14/h1-9H,(H,21,23)(H,19,20,22)/b18-9+.
What are the key properties of N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide?
N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 310.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 135691087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).