7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one

C23H23N5O2 — CID 154581310

IUPAC7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(c4cnc5ccccc5n4)CC3)cnc2c1
InChIInChI=1S/C23H23N5O2/c1-30-17-6-7-18-21(12-17)25-15-28(23(18)29)14-16-8-10-27(11-9-16)22-13-24-19-4-2-3-5-20(19)26-22/h2-7,12-13,15-16H,8-11,14H2,1H3
InChIKeyKAHHIXXBOWIPKY-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.26
Rot. Bonds4

About 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one

7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one (PubChem CID 154581310) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
PubChem CID154581310
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2c(=O)n(CC3CCN(c4cnc5ccccc5n4)CC3)cnc2c1
InChIInChI=1S/C23H23N5O2/c1-30-17-6-7-18-21(12-17)25-15-28(23(18)29)14-16-8-10-27(11-9-16)22-13-24-19-4-2-3-5-20(19)26-22/h2-7,12-13,15-16H,8-11,14H2,1H3
InChIKeyKAHHIXXBOWIPKY-UHFFFAOYSA-N
XLogP3.26
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-oxopyrido[1,2-a]pyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154582908
3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]-7-methoxyquinazolin-4-one
CID 154581284
7-methoxy-3-[[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581298
3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154883282
7-methoxy-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154883158
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
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
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one (CID 154581310) is 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one is COc1ccc2c(=O)n(CC3CCN(c4cnc5ccccc5n4)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one?
The InChIKey is KAHHIXXBOWIPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-30-17-6-7-18-21(12-17)25-15-28(23(18)29)14-16-8-10-27(11-9-16)22-13-24-19-4-2-3-5-20(19)26-22/h2-7,12-13,15-16H,8-11,14H2,1H3.
What are the key properties of 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one?
7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one has a molecular weight of 401.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 154581310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).