N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide

C19H18FN3O2 — CID 46662190

IUPACN-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1F
InChIInChI=1S/C19H18FN3O2/c1-13(14-6-2-4-8-16(14)20)22-18(24)10-11-23-12-21-17-9-5-3-7-15(17)19(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)
InChIKeyAMGQTWCVRYHNSA-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 46662190) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID46662190
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1F
InChIInChI=1S/C19H18FN3O2/c1-13(14-6-2-4-8-16(14)20)22-18(24)10-11-23-12-21-17-9-5-3-7-15(17)19(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24)
InChIKeyAMGQTWCVRYHNSA-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 75489122
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 34487848
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52521199
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52509917
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51873542
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 46662190) is N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide is CC(NC(=O)CCn1cnc2ccccc2c1=O)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is AMGQTWCVRYHNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13(14-6-2-4-8-16(14)20)22-18(24)10-11-23-12-21-17-9-5-3-7-15(17)19(23)25/h2-9,12-13H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 339.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 46662190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).