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

C17H14FN3O3 — CID 136759246

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H14FN3O3/c18-12-7-3-1-5-10(12)14(22)9-19-17(24)15-20-13-8-4-2-6-11(13)16(23)21-15/h1-8,14,22H,9H2,(H,19,24)(H,20,21,23)
InChIKeySPDZEPXSLRIBLJ-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.53
Rot. Bonds4

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

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136759246) has the molecular formula C17H14FN3O3 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136759246
Molecular FormulaC17H14FN3O3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H14FN3O3/c18-12-7-3-1-5-10(12)14(22)9-19-17(24)15-20-13-8-4-2-6-11(13)16(23)21-15/h1-8,14,22H,9H2,(H,19,24)(H,20,21,23)
InChIKeySPDZEPXSLRIBLJ-UHFFFAOYSA-N
XLogP1.53
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
N-(2-hydroxy-4-methylpentyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136790311
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136818121
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
4-oxo-N-(pyridin-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135654390
N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
4-oxo-N-[2-[(2-phenoxyacetyl)amino]ethyl]-3H-quinazoline-2-carboxamide
CID 135658727
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
4-oxo-N-[3-(thiophene-2-carbonylamino)propyl]-3H-quinazoline-2-carboxamide
CID 135629197
N-[3-(benzenesulfonamido)propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629285

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 136759246) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide is O=C(NCC(O)c1ccccc1F)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is SPDZEPXSLRIBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-12-7-3-1-5-10(12)14(22)9-19-17(24)15-20-13-8-4-2-6-11(13)16(23)21-15/h1-8,14,22H,9H2,(H,19,24)(H,20,21,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136759246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).