2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

C17H18FN3O — CID 71689758

IUPAC2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c1-11-19-10-14-15(20-11)3-2-4-16(14)21-17(22)9-12-5-7-13(18)8-6-12/h5-8,10,16H,2-4,9H2,1H3,(H,21,22)
InChIKeyJVPJOJYEQRYKIG-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.66
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide (PubChem CID 71689758) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
PubChem CID71689758
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
SMILESCc1ncc2c(n1)CCCC2NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c1-11-19-10-14-15(20-11)3-2-4-16(14)21-17(22)9-12-5-7-13(18)8-6-12/h5-8,10,16H,2-4,9H2,1H3,(H,21,22)
InChIKeyJVPJOJYEQRYKIG-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95930428
2-(2-cyanophenoxy)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
CID 71689664
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
2-indol-1-yl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95740709
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiophene-2-carboxamide
CID 95740668
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 97121248
3-(4-methylindazol-1-yl)-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740732
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385247
4-methyl-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]thiadiazole-5-carboxamide
CID 95740697
(2R)-2-(5-methylpyrazol-1-yl)-N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 95740693
N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 139001804

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide (CID 71689758) is 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide is Cc1ncc2c(n1)CCCC2NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The InChIKey is JVPJOJYEQRYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-11-19-10-14-15(20-11)3-2-4-16(14)21-17(22)9-12-5-7-13(18)8-6-12/h5-8,10,16H,2-4,9H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide has a molecular weight of 299.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide is sourced from PubChem (CID 71689758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).