3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C18H14F3N3O2 — CID 4870595

IUPAC3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)13-6-2-4-8-15(13)23-16(25)9-10-24-11-22-14-7-3-1-5-12(14)17(24)26/h1-8,11H,9-10H2,(H,23,25)
InChIKeyMFLFFJVGVRWKPC-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.44
Rot. Bonds4

About 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 4870595) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID4870595
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)13-6-2-4-8-15(13)23-16(25)9-10-24-11-22-14-7-3-1-5-12(14)17(24)26/h1-8,11H,9-10H2,(H,23,25)
InChIKeyMFLFFJVGVRWKPC-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147340
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573047
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 39724893
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55733182
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190
3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53024132
tert-butyl N-[2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4-(trifluoromethyl)phenyl]carbamate
CID 55969603
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 4870595) is 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MFLFFJVGVRWKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)13-6-2-4-8-15(13)23-16(25)9-10-24-11-22-14-7-3-1-5-12(14)17(24)26/h1-8,11H,9-10H2,(H,23,25).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 361.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4870595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).