N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C20H21FN4O2 — CID 166514753

IUPACN-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCc1ccc2c(=O)[nH]c(CN(C)CC(=O)N(C)c3cccc(F)c3)nc2c1
InChIInChI=1S/C20H21FN4O2/c1-13-7-8-16-17(9-13)22-18(23-20(16)27)11-24(2)12-19(26)25(3)15-6-4-5-14(21)10-15/h4-10H,11-12H2,1-3H3,(H,22,23,27)
InChIKeyXQEHBVSKJOIZLC-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.47
Rot. Bonds5

About N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 166514753) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID166514753
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCc1ccc2c(=O)[nH]c(CN(C)CC(=O)N(C)c3cccc(F)c3)nc2c1
InChIInChI=1S/C20H21FN4O2/c1-13-7-8-16-17(9-13)22-18(23-20(16)27)11-24(2)12-19(26)25(3)15-6-4-5-14(21)10-15/h4-10H,11-12H2,1-3H3,(H,22,23,27)
InChIKeyXQEHBVSKJOIZLC-UHFFFAOYSA-N
XLogP2.47
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3-fluorophenyl)methyl-methylamino]methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135939363
N-benzyl-2-(3-fluorophenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135738129
N-cyclohexyl-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-phenylacetamide
CID 135718611
N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide
CID 159835534
2-(3-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135848546
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933
6-chloro-2-[(N,3-dimethylanilino)methyl]-3H-quinazolin-4-one
CID 156870496
4-(2,5-dimethylphenyl)-N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135877052
N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135473828
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 135706234
3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135777082

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 166514753) is N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is Cc1ccc2c(=O)[nH]c(CN(C)CC(=O)N(C)c3cccc(F)c3)nc2c1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is XQEHBVSKJOIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13-7-8-16-17(9-13)22-18(23-20(16)27)11-24(2)12-19(26)25(3)15-6-4-5-14(21)10-15/h4-10H,11-12H2,1-3H3,(H,22,23,27).
What are the key properties of N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 368.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 166514753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).