N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide

C18H16FN3O3 — CID 136782968

IUPACN-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(F)c1[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16FN3O3/c1-10(15-12(19)7-5-9-14(15)25-2)20-18(24)16-21-13-8-4-3-6-11(13)17(23)22-16/h3-10H,1-2H3,(H,20,24)(H,21,22,23)/t10-/m1/s1
InChIKeyJJMBFDZIASNGHW-SNVBAGLBSA-N
MW341.34 g/mol
LogP2.56
Rot. Bonds4

About N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide

N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136782968) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136782968
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESCOc1cccc(F)c1[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H16FN3O3/c1-10(15-12(19)7-5-9-14(15)25-2)20-18(24)16-21-13-8-4-3-6-11(13)17(23)22-16/h3-10H,1-2H3,(H,20,24)(H,21,22,23)/t10-/m1/s1
InChIKeyJJMBFDZIASNGHW-SNVBAGLBSA-N
XLogP2.56
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108213
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136837271
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
ethyl (2R,3R)-2-methyl-3-[(4-oxo-3H-quinazoline-2-carbonyl)amino]butanoate
CID 136718552
methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 75440273
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136829251
N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide
CID 71824014
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111505609
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136759246
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 136782968) is N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide is COc1cccc(F)c1[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is JJMBFDZIASNGHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-10(15-12(19)7-5-9-14(15)25-2)20-18(24)16-21-13-8-4-3-6-11(13)17(23)22-16/h3-10H,1-2H3,(H,20,24)(H,21,22,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136782968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).