[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone

C25H24ClN3O2 — CID 55969204

IUPAC[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c2ccccc2n1
InChIInChI=1S/C25H24ClN3O2/c1-15(2)21-14-19(18-5-3-4-6-20(18)27-21)25(30)29-11-9-16(10-12-29)24-28-22-13-17(26)7-8-23(22)31-24/h3-8,13-16H,9-12H2,1-2H3
InChIKeyGXCXOOSHROWSEP-UHFFFAOYSA-N
MW433.94 g/mol
LogP6.17
Rot. Bonds3

About [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone

[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone (PubChem CID 55969204) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
PubChem CID55969204
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c2ccccc2n1
InChIInChI=1S/C25H24ClN3O2/c1-15(2)21-14-19(18-5-3-4-6-20(18)27-21)25(30)29-11-9-16(10-12-29)24-28-22-13-17(26)7-8-23(22)31-24/h3-8,13-16H,9-12H2,1-2H3
InChIKeyGXCXOOSHROWSEP-UHFFFAOYSA-N
XLogP6.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56514362
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-cyclobutyloxyphenyl)methanone
CID 86971735
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one
CID 120503150
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 55968184
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
CID 55866368
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 46577742
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
CID 55767338
1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953251

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone (CID 55969204) is [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone is CC(C)c1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c2ccccc2n1.
What is the InChIKey of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The InChIKey is GXCXOOSHROWSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-15(2)21-14-19(18-5-3-4-6-20(18)27-21)25(30)29-11-9-16(10-12-29)24-28-22-13-17(26)7-8-23(22)31-24/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone has a molecular weight of 433.94 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 55969204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).