N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide

C26H22ClFN4O3 — CID 53052276

IUPACN-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C26H22ClFN4O3/c27-19-4-1-17(2-5-19)16-29-24(33)18-3-10-22-23(15-18)30-26(31-11-13-35-14-12-31)32(25(22)34)21-8-6-20(28)7-9-21/h1-10,15H,11-14,16H2,(H,29,33)
InChIKeyYHAHHHJGRPVLOT-UHFFFAOYSA-N
MW492.94 g/mol
LogP3.94
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide

N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide (PubChem CID 53052276) has the molecular formula C26H22ClFN4O3 and a molecular weight of 492.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
PubChem CID53052276
Molecular FormulaC26H22ClFN4O3
Molecular Weight492.94 g/mol
Exact Mass492.14
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C26H22ClFN4O3/c27-19-4-1-17(2-5-19)16-29-24(33)18-3-10-22-23(15-18)30-26(31-11-13-35-14-12-31)32(25(22)34)21-8-6-20(28)7-9-21/h1-10,15H,11-14,16H2,(H,29,33)
InChIKeyYHAHHHJGRPVLOT-UHFFFAOYSA-N
XLogP3.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-(3-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052297
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide
CID 53052299
N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371
methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 50840907
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72912171
3-(3-methoxyphenyl)-2-morpholin-4-yl-4-oxo-N-propylquinazoline-7-carboxamide
CID 46284880
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889729
N-(4-fluorophenyl)-4-oxo-3-phenyl-2-piperidin-1-ylquinazoline-7-carboxamide
CID 53052412
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136
9-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729447
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide (CID 53052276) is N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(N3CCOCC3)nc2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
The InChIKey is YHAHHHJGRPVLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O3/c27-19-4-1-17(2-5-19)16-29-24(33)18-3-10-22-23(15-18)30-26(31-11-13-35-14-12-31)32(25(22)34)21-8-6-20(28)7-9-21/h1-10,15H,11-14,16H2,(H,29,33).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide has a molecular weight of 492.94 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 53052276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).