(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone

C17H20ClN3O — CID 120818978

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)c3cccnc23)CCC1N
InChIInChI=1S/C17H20ClN3O/c1-17(2)10-21(9-7-14(17)19)16(22)12-5-6-13(18)11-4-3-8-20-15(11)12/h3-6,8,14H,7,9-10,19H2,1-2H3
InChIKeyHAAXXZLCCOJAAZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.09
Rot. Bonds1

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone (PubChem CID 120818978) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
PubChem CID120818978
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(Cl)c3cccnc23)CCC1N
InChIInChI=1S/C17H20ClN3O/c1-17(2)10-21(9-7-14(17)19)16(22)12-5-6-13(18)11-4-3-8-20-15(11)12/h3-6,8,14H,7,9-10,19H2,1-2H3
InChIKeyHAAXXZLCCOJAAZ-UHFFFAOYSA-N
XLogP3.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone
CID 120818102
azetidin-1-yl-(5-chloroquinolin-8-yl)methanone
CID 166196760
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120813989
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120818027
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 120820405
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methoxynaphthalen-1-yl)methanone
CID 120814465
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 120819643
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882198

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone (CID 120818978) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone is CC1(C)CN(C(=O)c2ccc(Cl)c3cccnc23)CCC1N.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone?
The InChIKey is HAAXXZLCCOJAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-17(2)10-21(9-7-14(17)19)16(22)12-5-6-13(18)11-4-3-8-20-15(11)12/h3-6,8,14H,7,9-10,19H2,1-2H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone has a molecular weight of 317.82 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone is sourced from PubChem (CID 120818978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).