N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide

C18H15ClFN3O2 — CID 1055784

IUPACN-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1F)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C18H15ClFN3O2/c1-10(21-17(24)12-5-3-4-6-14(12)20)16-22-15-9-11(19)7-8-13(15)18(25)23(16)2/h3-10H,1-2H3,(H,21,24)/t10-/m1/s1
InChIKeyNQQCYYVZXIXNLK-SNVBAGLBSA-N
MW359.79 g/mol
LogP3.22
Rot. Bonds3

About N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide

N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide (PubChem CID 1055784) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
PubChem CID1055784
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1F)c1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C18H15ClFN3O2/c1-10(21-17(24)12-5-3-4-6-14(12)20)16-22-15-9-11(19)7-8-13(15)18(25)23(16)2/h3-10H,1-2H3,(H,21,24)/t10-/m1/s1
InChIKeyNQQCYYVZXIXNLK-SNVBAGLBSA-N
XLogP3.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 4573160
1-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 1055839
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 1055781
1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclohexylurea
CID 3895927
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633
7-chloro-3-methyl-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42715106
7-chloro-2-[(1S)-1-(hexylamino)ethyl]-3-methylquinazolin-4-one
CID 7262108
N-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42714026
3-chloro-11-oxo-N-propan-2-ylpyrido[2,1-b]quinazoline-6-carboxamide
CID 5018182
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide (CID 1055784) is N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide is C[C@@H](NC(=O)c1ccccc1F)c1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide?
The InChIKey is NQQCYYVZXIXNLK-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-10(21-17(24)12-5-3-4-6-14(12)20)16-22-15-9-11(19)7-8-13(15)18(25)23(16)2/h3-10H,1-2H3,(H,21,24)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide?
N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide has a molecular weight of 359.79 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 1055784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).