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

C23H17ClFN3O2 — CID 66637595

IUPACN-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2c(=O)n(Cc3ccccc3F)cnc2c1
InChIInChI=1S/C23H17ClFN3O2/c24-18-6-3-4-15(10-18)12-26-22(29)16-8-9-19-21(11-16)27-14-28(23(19)30)13-17-5-1-2-7-20(17)25/h1-11,14H,12-13H2,(H,26,29)
InChIKeyJUHHGJWVOVNGBY-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.17
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide (PubChem CID 66637595) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide
PubChem CID66637595
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2c(=O)n(Cc3ccccc3F)cnc2c1
InChIInChI=1S/C23H17ClFN3O2/c24-18-6-3-4-15(10-18)12-26-22(29)16-8-9-19-21(11-16)27-14-28(23(19)30)13-17-5-1-2-7-20(17)25/h1-11,14H,12-13H2,(H,26,29)
InChIKeyJUHHGJWVOVNGBY-UHFFFAOYSA-N
XLogP4.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxylate
CID 59842874
N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
CID 24760691
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 40743497
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
1-benzyl-N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxamide
CID 166377011
N-[(3-chlorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9096007
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
N-[(3-chlorophenyl)methyl]-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39335309
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide (CID 66637595) is N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2c(=O)n(Cc3ccccc3F)cnc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The InChIKey is JUHHGJWVOVNGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c24-18-6-3-4-15(10-18)12-26-22(29)16-8-9-19-21(11-16)27-14-28(23(19)30)13-17-5-1-2-7-20(17)25/h1-11,14H,12-13H2,(H,26,29).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide?
N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide has a molecular weight of 421.86 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 66637595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).