N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

C19H18FN3O2 — CID 34487848

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1F
InChIInChI=1S/C19H18FN3O2/c1-13-6-7-14(10-16(13)20)11-21-18(24)8-9-23-12-22-17-5-3-2-4-15(17)19(23)25/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)
InChIKeyITEYHQYLAAQTJA-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.55
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 34487848) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID34487848
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1F
InChIInChI=1S/C19H18FN3O2/c1-13-6-7-14(10-16(13)20)11-21-18(24)8-9-23-12-22-17-5-3-2-4-15(17)19(23)25/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)
InChIKeyITEYHQYLAAQTJA-UHFFFAOYSA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35828474
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
N-but-3-ynyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 90537872
3-(4-oxoquinazolin-3-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 36758177
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
3-(4-oxoquinazolin-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 55729811
3-(4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 26835386
3-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 72719244

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 34487848) is N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is Cc1ccc(CNC(=O)CCn2cnc3ccccc3c2=O)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is ITEYHQYLAAQTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-6-7-14(10-16(13)20)11-21-18(24)8-9-23-12-22-17-5-3-2-4-15(17)19(23)25/h2-7,10,12H,8-9,11H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 339.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 34487848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).