N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide

C26H23FN4O3 — CID 53052297

IUPACN-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(=O)n(-c3cccc(F)c3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C26H23FN4O3/c27-20-7-4-8-21(16-20)31-25(33)22-10-9-19(24(32)28-17-18-5-2-1-3-6-18)15-23(22)29-26(31)30-11-13-34-14-12-30/h1-10,15-16H,11-14,17H2,(H,28,32)
InChIKeyNTBCLCXWUMZNRU-UHFFFAOYSA-N
MW458.49 g/mol
LogP3.29
Rot. Bonds5

About N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide

N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide (PubChem CID 53052297) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
PubChem CID53052297
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC NameN-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(=O)n(-c3cccc(F)c3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C26H23FN4O3/c27-20-7-4-8-21(16-20)31-25(33)22-10-9-19(24(32)28-17-18-5-2-1-3-6-18)15-23(22)29-26(31)30-11-13-34-14-12-30/h1-10,15-16H,11-14,17H2,(H,28,32)
InChIKeyNTBCLCXWUMZNRU-UHFFFAOYSA-N
XLogP3.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-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

3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052299
N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052276
N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371
3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
CID 46284880
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
2-benzylsulfanyl-3-(3-fluorophenyl)-4-oxo-N-propylquinazoline-7-carboxamide
CID 46361887
N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide
CID 53052412
3-[[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]methyl]benzoic acid
CID 72911503
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
3-(3-fluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 46361945

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide (CID 53052297) is N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide is O=C(NCc1ccccc1)c1ccc2c(=O)n(-c3cccc(F)c3)c(N3CCOCC3)nc2c1.
What is the InChIKey of N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The InChIKey is NTBCLCXWUMZNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c27-20-7-4-8-21(16-20)31-25(33)22-10-9-19(24(32)28-17-18-5-2-1-3-6-18)15-23(22)29-26(31)30-11-13-34-14-12-30/h1-10,15-16H,11-14,17H2,(H,28,32).
What are the key properties of N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide has a molecular weight of 458.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 53052297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).