3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one

C22H20ClN5O — CID 154883282

IUPAC3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1CCN(c2cnc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C22H20ClN5O/c23-16-5-6-19-20(11-16)24-12-21(26-19)27-9-7-15(8-10-27)13-28-14-25-18-4-2-1-3-17(18)22(28)29/h1-6,11-12,14-15H,7-10,13H2
InChIKeyJQUJJKVQDIGAKA-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.91
Rot. Bonds3

About 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one

3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one (PubChem CID 154883282) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
PubChem CID154883282
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1CCN(c2cnc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C22H20ClN5O/c23-16-5-6-19-20(11-16)24-12-21(26-19)27-9-7-15(8-10-27)13-28-14-25-18-4-2-1-3-17(18)22(28)29/h1-6,11-12,14-15H,7-10,13H2
InChIKeyJQUJJKVQDIGAKA-UHFFFAOYSA-N
XLogP3.91
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one with MolForge

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Related Compounds

7-methoxy-3-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]quinazolin-4-one
CID 154581310
3-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988371
3-[[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154830140
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
3-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138989035
7-chloro-3-[[1-[(3S)-4-hydroxy-3-phenylbutanoyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 138506180
3-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 138988736
3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 138988468
N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881971
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897722
3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139022973

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one (CID 154883282) is 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one is O=c1c2ccccc2ncn1CC1CCN(c2cnc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
The InChIKey is JQUJJKVQDIGAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c23-16-5-6-19-20(11-16)24-12-21(26-19)27-9-7-15(8-10-27)13-28-14-25-18-4-2-1-3-17(18)22(28)29/h1-6,11-12,14-15H,7-10,13H2.
What are the key properties of 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one?
3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one has a molecular weight of 405.89 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 154883282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).