N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide

C20H21N3O2 — CID 70838498

IUPACN-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESCC(C)Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-14(2)12-18-21-17-11-7-6-10-16(17)20(25)23(18)22-19(24)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyFTQLNJXHJWAZTC-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide

N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide (PubChem CID 70838498) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
PubChem CID70838498
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
SMILESCC(C)Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H21N3O2/c1-14(2)12-18-21-17-11-7-6-10-16(17)20(25)23(18)22-19(24)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,24)
InChIKeyFTQLNJXHJWAZTC-UHFFFAOYSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 10025480
2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 23995928
N-[2-(2,2-dimethylpropyl)-6,7-difluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838391
N-[4-oxo-2-propyl-7-(trifluoromethoxy)quinazolin-3-yl]-2-phenylacetamide
CID 70838803
N-[2-(cyclopropylmethyl)-7-fluoro-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 70838398
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
N-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]acetamide
CID 10912745
N-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 70875427
methyl (2R,3S)-3-methyl-1-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-3-phenylaziridine-2-carboxylate
CID 10408148
3-(2,6-dichlorophenyl)-2-(2-methylpropyl)quinazolin-4-one
CID 802442
2-anilino-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
CID 172639985

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide (CID 70838498) is N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide is CC(C)Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide?
The InChIKey is FTQLNJXHJWAZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)12-18-21-17-11-7-6-10-16(17)20(25)23(18)22-19(24)13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide?
N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide has a molecular weight of 335.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 70838498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).