(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide

C21H23N3O2 — CID 7579532

IUPAC(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-4-19(20(25)23-16-11-9-15(10-12-16)14(2)3)24-13-22-18-8-6-5-7-17(18)21(24)26/h5-14,19H,4H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyMSDQUZANKVBTGT-IBGZPJMESA-N
MW349.43 g/mol
LogP4.11
Rot. Bonds5

About (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide

(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 7579532) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
PubChem CID7579532
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1cnc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2/c1-4-19(20(25)23-16-11-9-15(10-12-16)14(2)3)24-13-22-18-8-6-5-7-17(18)21(24)26/h5-14,19H,4H2,1-3H3,(H,23,25)/t19-/m0/s1
InChIKeyMSDQUZANKVBTGT-IBGZPJMESA-N
XLogP4.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7596180
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide
CID 4905863
(2R)-N-(2,4-difluorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7631288
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
methyl 4,5-dimethoxy-2-[2-(4-oxoquinazolin-3-yl)butanoylamino]benzoate
CID 4870852
(2S)-N-(4-fluorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632851
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-(4-methylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)butanamide
CID 50761015
(2S)-N-(4-methylphenyl)-2-(6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)butanamide
CID 94069465

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide (CID 7579532) is (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide is CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)n1cnc2ccccc2c1=O.
What is the InChIKey of (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is MSDQUZANKVBTGT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-19(20(25)23-16-11-9-15(10-12-16)14(2)3)24-13-22-18-8-6-5-7-17(18)21(24)26/h5-14,19H,4H2,1-3H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide?
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 349.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 7579532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).