N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

C20H20FN3O2 — CID 51951419

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc2ncn(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C20H20FN3O2/c1-13-4-9-18-17(10-13)20(26)24(12-22-18)11-19(25)23(3)14(2)15-5-7-16(21)8-6-15/h4-10,12,14H,11H2,1-3H3/t14-/m0/s1
InChIKeyJIFFVLLWPDOIPZ-AWEZNQCLSA-N
MW353.40 g/mol
LogP3.06
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51951419) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID51951419
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1ccc2ncn(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)c(=O)c2c1
InChIInChI=1S/C20H20FN3O2/c1-13-4-9-18-17(10-13)20(26)24(12-22-18)11-19(25)23(3)14(2)15-5-7-16(21)8-6-15/h4-10,12,14H,11H2,1-3H3/t14-/m0/s1
InChIKeyJIFFVLLWPDOIPZ-AWEZNQCLSA-N
XLogP3.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 46587408
N-[1-(4-fluorophenyl)ethyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 24565020
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51273270
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
N,N-dicyclohexyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46484188
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 55719138
3-(3,3-dimethyl-2-oxobutyl)-6-methylquinazolin-4-one
CID 47037899
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[1-(2-nitrophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 46426323
N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121933
6-methyl-3-(methylaminomethyl)quinazolin-4-one
CID 117264007

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide (CID 51951419) is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1ccc2ncn(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)c(=O)c2c1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JIFFVLLWPDOIPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-4-9-18-17(10-13)20(26)24(12-22-18)11-19(25)23(3)14(2)15-5-7-16(21)8-6-15/h4-10,12,14H,11H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-(6-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51951419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).