3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide

C21H23N3O3 — CID 51393472

IUPAC3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H23N3O3/c1-15(11-12-16-7-3-2-4-8-16)22-19(25)13-14-24-20(26)17-9-5-6-10-18(17)23-21(24)27/h2-10,15H,11-14H2,1H3,(H,22,25)(H,23,27)/t15-/m0/s1
InChIKeyHVHRWWKRUNEBCB-HNNXBMFYSA-N
MW365.43 g/mol
LogP2.22
Rot. Bonds7

About 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 51393472) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID51393472
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H23N3O3/c1-15(11-12-16-7-3-2-4-8-16)22-19(25)13-14-24-20(26)17-9-5-6-10-18(17)23-21(24)27/h2-10,15H,11-14H2,1H3,(H,22,25)(H,23,27)/t15-/m0/s1
InChIKeyHVHRWWKRUNEBCB-HNNXBMFYSA-N
XLogP2.22
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
2-[6-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]-3-methylbutanoic acid
CID 4834295
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(4-hydroxy-3-methylbutan-2-yl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 119042934
N-[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 124574296
N-[(1S)-1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 125431694
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 51571611
4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(4-phenylbutan-2-yl)cyclohexane-1-carboxamide
CID 15996888
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
N-heptan-2-yl-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide
CID 43043606

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 51393472) is 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide is C[C@@H](CCc1ccccc1)NC(=O)CCn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is HVHRWWKRUNEBCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(11-12-16-7-3-2-4-8-16)22-19(25)13-14-24-20(26)17-9-5-6-10-18(17)23-21(24)27/h2-10,15H,11-14H2,1H3,(H,22,25)(H,23,27)/t15-/m0/s1.
What are the key properties of 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide?
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 51393472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).