(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide

C24H21N3O2 — CID 136847891

IUPAC(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-2-19(16-8-4-3-5-9-16)23(28)25-18-14-12-17(13-15-18)22-26-21-11-7-6-10-20(21)24(29)27-22/h3-15,19H,2H2,1H3,(H,25,28)(H,26,27,29)/t19-/m1/s1
InChIKeyMXXYNHUVSPYZPD-LJQANCHMSA-N
MW383.45 g/mol
LogP4.72
Rot. Bonds5

About (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide

(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide (PubChem CID 136847891) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide
PubChem CID136847891
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1ccccc1
InChIInChI=1S/C24H21N3O2/c1-2-19(16-8-4-3-5-9-16)23(28)25-18-14-12-17(13-15-18)22-26-21-11-7-6-10-20(21)24(29)27-22/h3-15,19H,2H2,1H3,(H,25,28)(H,26,27,29)/t19-/m1/s1
InChIKeyMXXYNHUVSPYZPD-LJQANCHMSA-N
XLogP4.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
CID 142520450
(2S)-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-2-phenylbutanamide
CID 7374034
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 167818077
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide
CID 137425221

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide (CID 136847891) is (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide is CC[C@@H](C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide?
The InChIKey is MXXYNHUVSPYZPD-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-19(16-8-4-3-5-9-16)23(28)25-18-14-12-17(13-15-18)22-26-21-11-7-6-10-20(21)24(29)27-22/h3-15,19H,2H2,1H3,(H,25,28)(H,26,27,29)/t19-/m1/s1.
What are the key properties of (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide?
(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide has a molecular weight of 383.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 136847891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).