2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide

C17H14FN3O3 — CID 4902210

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14FN3O3/c1-10(15(22)19-12-6-4-5-11(18)9-12)21-16(23)13-7-2-3-8-14(13)20-17(21)24/h2-10H,1H3,(H,19,22)(H,20,24)
InChIKeyACQGTPMHUKFBDA-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.03
Rot. Bonds3

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide (PubChem CID 4902210) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide
PubChem CID4902210
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)n1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C17H14FN3O3/c1-10(15(22)19-12-6-4-5-11(18)9-12)21-16(23)13-7-2-3-8-14(13)20-17(21)24/h2-10H,1H3,(H,19,22)(H,20,24)
InChIKeyACQGTPMHUKFBDA-UHFFFAOYSA-N
XLogP2.03
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4910445
N-(4-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4911728
N-(3-acetylphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4904308
N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4909703
(2R)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 51427958
(2S)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]-2-phenylacetic acid
CID 51428003
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 17034808
3-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1H-quinazoline-2,4-dione
CID 4911305
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide (CID 4902210) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide is CC(C(=O)Nc1cccc(F)c1)n1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide?
The InChIKey is ACQGTPMHUKFBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-10(15(22)19-12-6-4-5-11(18)9-12)21-16(23)13-7-2-3-8-14(13)20-17(21)24/h2-10H,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide has a molecular weight of 327.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 4902210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).