3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride

C19H24ClN3O2 — CID 119623243

IUPAC3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C(c1cc2ccccc2[nH]c1=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H23N3O2.ClH/c23-18-16(11-14-3-1-2-4-17(14)21-18)19(24)22-9-7-15(8-10-22)20-12-13-5-6-13;/h1-4,11,13,15,20H,5-10,12H2,(H,21,23);1H
InChIKeyAYOCQGHMBJBFPR-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.55
Rot. Bonds4

About 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride

3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride (PubChem CID 119623243) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
PubChem CID119623243
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C(c1cc2ccccc2[nH]c1=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H23N3O2.ClH/c23-18-16(11-14-3-1-2-4-17(14)21-18)19(24)22-9-7-15(8-10-22)20-12-13-5-6-13;/h1-4,11,13,15,20H,5-10,12H2,(H,21,23);1H
InChIKeyAYOCQGHMBJBFPR-UHFFFAOYSA-N
XLogP2.55
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
4-[[1-(2-oxo-1H-quinoline-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70737695
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119623869
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 57329601
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride (CID 119623243) is 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride is Cl.O=C(c1cc2ccccc2[nH]c1=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The InChIKey is AYOCQGHMBJBFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c23-18-16(11-14-3-1-2-4-17(14)21-18)19(24)22-9-7-15(8-10-22)20-12-13-5-6-13;/h1-4,11,13,15,20H,5-10,12H2,(H,21,23);1H.
What are the key properties of 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 119623243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).