3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one

C23H24ClN3O3 — CID 154581941

IUPAC3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(C(=O)Cc4ccccc4Cl)CC3)cnc2c1
InChIInChI=1S/C23H24ClN3O3/c1-30-18-6-7-19-21(13-18)25-15-27(23(19)29)14-16-8-10-26(11-9-16)22(28)12-17-4-2-3-5-20(17)24/h2-7,13,15-16H,8-12,14H2,1H3
InChIKeyAVNLCCXBCYYDJV-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.54
Rot. Bonds5

About 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one

3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one (PubChem CID 154581941) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
PubChem CID154581941
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(C(=O)Cc4ccccc4Cl)CC3)cnc2c1
InChIInChI=1S/C23H24ClN3O3/c1-30-18-6-7-19-21(13-18)25-15-27(23(19)29)14-16-8-10-26(11-9-16)22(28)12-17-4-2-3-5-20(17)24/h2-7,13,15-16H,8-12,14H2,1H3
InChIKeyAVNLCCXBCYYDJV-UHFFFAOYSA-N
XLogP3.54
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581150
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868
7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581310
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154582915
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 154581258
7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154883158
7-chloro-3-[[1-[(3S)-4-hydroxy-3-phenylbutanoyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 138506180
7-fluoro-3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 146080719
7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154582908
7-ethyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 142552008
7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581298

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one?
The IUPAC name of 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one (CID 154581941) is 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one.
What is the SMILES notation for 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one?
The canonical SMILES for 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one is COc1ccc2c(=O)n(CC3CCN(C(=O)Cc4ccccc4Cl)CC3)cnc2c1.
What is the InChIKey of 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one?
The InChIKey is AVNLCCXBCYYDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-30-18-6-7-19-21(13-18)25-15-27(23(19)29)14-16-8-10-26(11-9-16)22(28)12-17-4-2-3-5-20(17)24/h2-7,13,15-16H,8-12,14H2,1H3.
What are the key properties of 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one?
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one has a molecular weight of 425.92 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one is sourced from PubChem (CID 154581941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).