2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one

C19H25N3O2 — CID 137264465

IUPAC2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC(OC3CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O2/c23-18-16-8-4-5-9-17(16)20-19(21-18)22-12-10-15(11-13-22)24-14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,21,23)
InChIKeyIWBFWFCSIGICMU-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one

2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one (PubChem CID 137264465) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
PubChem CID137264465
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(N2CCC(OC3CCCCC3)CC2)nc2ccccc12
InChIInChI=1S/C19H25N3O2/c23-18-16-8-4-5-9-17(16)20-19(21-18)22-12-10-15(11-13-22)24-14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,21,23)
InChIKeyIWBFWFCSIGICMU-UHFFFAOYSA-N
XLogP3.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
CID 136790933
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(3-prop-2-enoxypyrrolidin-1-yl)-3H-quinazolin-4-one
CID 137257515
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136706838
N-(cyclopropylmethyl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-3-carboxamide
CID 137264290
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
CID 137264350
2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
CID 136673956

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one (CID 137264465) is 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one is O=c1[nH]c(N2CCC(OC3CCCCC3)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one?
The InChIKey is IWBFWFCSIGICMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18-16-8-4-5-9-17(16)20-19(21-18)22-12-10-15(11-13-22)24-14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,20,21,23).
What are the key properties of 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one?
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one has a molecular weight of 327.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137264465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).