N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide

C23H18FN3O2 — CID 24512604

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18FN3O2/c24-18-9-5-16(6-10-18)13-14-25-22(28)17-7-11-19(12-8-17)27-15-26-21-4-2-1-3-20(21)23(27)29/h1-12,15H,13-14H2,(H,25,28)
InChIKeyQQHJADJCROIKPX-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.50
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide

N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 24512604) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
PubChem CID24512604
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18FN3O2/c24-18-9-5-16(6-10-18)13-14-25-22(28)17-7-11-19(12-8-17)27-15-26-21-4-2-1-3-20(21)23(27)29/h1-12,15H,13-14H2,(H,25,28)
InChIKeyQQHJADJCROIKPX-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide 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-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
2-(4-oxoquinazolin-3-yl)-N-(2-phenylethyl)benzamide
CID 15991812
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
4-(4-oxoquinazolin-3-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 24515822
4-(4-oxoquinazolin-3-yl)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24566961
4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
CID 3691109
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913
2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
CID 68506824
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24516184

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide (CID 24512604) is N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide is O=C(NCCc1ccc(F)cc1)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is QQHJADJCROIKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-18-9-5-16(6-10-18)13-14-25-22(28)17-7-11-19(12-8-17)27-15-26-21-4-2-1-3-20(21)23(27)29/h1-12,15H,13-14H2,(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide?
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 387.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 24512604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).