(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone

C21H24FN3O — CID 133461027

IUPAC(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
SMILESCc1nc2c(c(N3CCCC(C(=O)c4ccc(F)cc4)C3)n1)CCCC2
InChIInChI=1S/C21H24FN3O/c1-14-23-19-7-3-2-6-18(19)21(24-14)25-12-4-5-16(13-25)20(26)15-8-10-17(22)11-9-15/h8-11,16H,2-7,12-13H2,1H3
InChIKeyGLTITKJJZDIYDT-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.90
Rot. Bonds3

About (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone

(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone (PubChem CID 133461027) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
PubChem CID133461027
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone
SMILESCc1nc2c(c(N3CCCC(C(=O)c4ccc(F)cc4)C3)n1)CCCC2
InChIInChI=1S/C21H24FN3O/c1-14-23-19-7-3-2-6-18(19)21(24-14)25-12-4-5-16(13-25)20(26)15-8-10-17(22)11-9-15/h8-11,16H,2-7,12-13H2,1H3
InChIKeyGLTITKJJZDIYDT-UHFFFAOYSA-N
XLogP3.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
1-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]urea
CID 91817882
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133450748
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
2-methyl-4-(3-pyridin-4-yloxypyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 133472466
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132
1-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549351
1-(6-benzyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 110219431
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone (CID 133461027) is (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone is Cc1nc2c(c(N3CCCC(C(=O)c4ccc(F)cc4)C3)n1)CCCC2.
What is the InChIKey of (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone?
The InChIKey is GLTITKJJZDIYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-14-23-19-7-3-2-6-18(19)21(24-14)25-12-4-5-16(13-25)20(26)15-8-10-17(22)11-9-15/h8-11,16H,2-7,12-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone?
(4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone has a molecular weight of 353.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 133461027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).