5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile

C21H20ClN5O2 — CID 154581258

IUPAC5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccc2c(=O)n(CC3CCN(c4ncc(C#N)cc4Cl)CC3)cnc2c1
InChIInChI=1S/C21H20ClN5O2/c1-29-16-2-3-17-19(9-16)25-13-27(21(17)28)12-14-4-6-26(7-5-14)20-18(22)8-15(10-23)11-24-20/h2-3,8-9,11,13-14H,4-7,12H2,1H3
InChIKeyKNPGZFIABQSDFR-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.24
Rot. Bonds4

About 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 154581258) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID154581258
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccc2c(=O)n(CC3CCN(c4ncc(C#N)cc4Cl)CC3)cnc2c1
InChIInChI=1S/C21H20ClN5O2/c1-29-16-2-3-17-19(9-16)25-13-27(21(17)28)12-14-4-6-26(7-5-14)20-18(22)8-15(10-23)11-24-20/h2-3,8-9,11,13-14H,4-7,12H2,1H3
InChIKeyKNPGZFIABQSDFR-UHFFFAOYSA-N
XLogP3.24
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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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-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581310
7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581298
3-[[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581941
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
3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581284
7-methoxy-3-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154582908
7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154883158
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868
3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-6-methylquinazolin-4-one
CID 139800859
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile (CID 154581258) is 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile is COc1ccc2c(=O)n(CC3CCN(c4ncc(C#N)cc4Cl)CC3)cnc2c1.
What is the InChIKey of 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is KNPGZFIABQSDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-29-16-2-3-17-19(9-16)25-13-27(21(17)28)12-14-4-6-26(7-5-14)20-18(22)8-15(10-23)11-24-20/h2-3,8-9,11,13-14H,4-7,12H2,1H3.
What are the key properties of 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 409.88 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(7-methoxy-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 154581258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).