1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one

C19H24ClN3O — CID 58368588

IUPAC1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(c2c(C(C)N)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C19H24ClN3O/c1-12(24)10-14-5-8-23(9-6-14)19-16(13(2)21)11-17(20)15-4-3-7-22-18(15)19/h3-4,7,11,13-14H,5-6,8-10,21H2,1-2H3
InChIKeyJCLVHEOHFKBFEI-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.10
Rot. Bonds4

About 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one

1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one (PubChem CID 58368588) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one
PubChem CID58368588
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(c2c(C(C)N)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C19H24ClN3O/c1-12(24)10-14-5-8-23(9-6-14)19-16(13(2)21)11-17(20)15-4-3-7-22-18(15)19/h3-4,7,11,13-14H,5-6,8-10,21H2,1-2H3
InChIKeyJCLVHEOHFKBFEI-UHFFFAOYSA-N
XLogP4.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperazin-1-yl]ethanol
CID 67301551
4-[1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-yl]butan-2-one
CID 123578382
N-[1-[5-chloro-8-(4-fluoropiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 87329239
5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide
CID 58368629
N-[1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]piperidin-4-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 87346827
1-[5-chloro-7-[1-(7H-purin-6-ylamino)ethyl]quinolin-8-yl]pyrrolidin-3-ol
CID 76736168
2-(5-chloro-8-piperidin-1-ylquinolin-7-yl)ethanamine
CID 173056499
4-amino-3-(5-chloroquinolin-8-yl)pentanoic acid
CID 112618653
N-[1-[5-chloro-8-(4-phenoxypiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 87346706
N-[1-[5-chloro-8-(4-phenylpiperidin-1-yl)quinolin-7-yl]ethyl]-7H-purin-6-amine
CID 53251195
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
N'-[(E)-[1-[5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinolin-7-yl]ethylamino]-(5-methylidene-1H-imidazol-4-ylidene)methyl]methanimidamide
CID 173471314

Frequently Asked Questions

What is the IUPAC name of 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one?
The IUPAC name of 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one (CID 58368588) is 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(c2c(C(C)N)cc(Cl)c3cccnc23)CC1.
What is the InChIKey of 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one?
The InChIKey is JCLVHEOHFKBFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-12(24)10-14-5-8-23(9-6-14)19-16(13(2)21)11-17(20)15-4-3-7-22-18(15)19/h3-4,7,11,13-14H,5-6,8-10,21H2,1-2H3.
What are the key properties of 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one?
1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one has a molecular weight of 345.87 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[7-(1-aminoethyl)-5-chloroquinolin-8-yl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 58368588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).