3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

C21H24ClN3O2 — CID 92968130

IUPAC3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-17-7-5-15(6-8-17)20(26)14-24-11-9-18(10-12-24)25-13-16-3-1-2-4-19(16)23-21(25)27/h1-8,18,20,26H,9-14H2,(H,23,27)/t20-/m0/s1
InChIKeyORFSHJLTINQEGN-FQEVSTJZSA-N
MW385.90 g/mol
LogP3.89
Rot. Bonds4

About 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one

3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one (PubChem CID 92968130) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
PubChem CID92968130
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c22-17-7-5-15(6-8-17)20(26)14-24-11-9-18(10-12-24)25-13-16-3-1-2-4-19(16)23-21(25)27/h1-8,18,20,26H,9-14H2,(H,23,27)/t20-/m0/s1
InChIKeyORFSHJLTINQEGN-FQEVSTJZSA-N
XLogP3.89
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one with MolForge

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Related Compounds

3-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 110168464
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
3-(1-piperidin-4-ylpiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 18321434
1-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]imidazolidin-2-one
CID 94392496
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanal
CID 87696645
azepan-1-yl-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 46536157
1-(4-chlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 111118369
3-[1-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 12797985
[3-(1-benzylpiperidin-4-yl)-2-oxo-1,4-dihydroquinazolin-7-yl] methyl carbonate
CID 23065469
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 69054072

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one (CID 92968130) is 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2CN1C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The InChIKey is ORFSHJLTINQEGN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-7-5-15(6-8-17)20(26)14-24-11-9-18(10-12-24)25-13-16-3-1-2-4-19(16)23-21(25)27/h1-8,18,20,26H,9-14H2,(H,23,27)/t20-/m0/s1.
What are the key properties of 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one has a molecular weight of 385.90 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 92968130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).