N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide

C20H21N3O2 — CID 135527538

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H21N3O2/c1-2-19(24)23(13-12-15-8-4-3-5-9-15)14-18-21-17-11-7-6-10-16(17)20(25)22-18/h3-11H,2,12-14H2,1H3,(H,21,22,25)
InChIKeyUBGLYIJSLNBONZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.90
Rot. Bonds6

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide (PubChem CID 135527538) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
PubChem CID135527538
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H21N3O2/c1-2-19(24)23(13-12-15-8-4-3-5-9-15)14-18-21-17-11-7-6-10-16(17)20(25)22-18/h3-11H,2,12-14H2,1H3,(H,21,22,25)
InChIKeyUBGLYIJSLNBONZ-UHFFFAOYSA-N
XLogP2.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135417655
N-[2-(4-methoxyphenyl)ethyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135429069
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 135417617
2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135429083
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)methanesulfonamide
CID 135592194
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-benzyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135478145
5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 135509247
N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821082
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 135935998
N-benzyl-2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738200
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide (CID 135527538) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide is CCC(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide?
The InChIKey is UBGLYIJSLNBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-19(24)23(13-12-15-8-4-3-5-9-15)14-18-21-17-11-7-6-10-16(17)20(25)22-18/h3-11H,2,12-14H2,1H3,(H,21,22,25).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 135527538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).