8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile

C19H23ClN4O — CID 175992583

IUPAC8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile
SMILESCOC1CCN(c2nc3c(C(C)N)cc(Cl)cc3c(C#N)c2C)CC1
InChIInChI=1S/C19H23ClN4O/c1-11-17(10-21)16-9-13(20)8-15(12(2)22)18(16)23-19(11)24-6-4-14(25-3)5-7-24/h8-9,12,14H,4-7,22H2,1-3H3
InChIKeyFBTYMXRADTYURD-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.70
Rot. Bonds3

About 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile

8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile (PubChem CID 175992583) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile.

Molecular Properties

Compound Name8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile
PubChem CID175992583
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile
SMILESCOC1CCN(c2nc3c(C(C)N)cc(Cl)cc3c(C#N)c2C)CC1
InChIInChI=1S/C19H23ClN4O/c1-11-17(10-21)16-9-13(20)8-15(12(2)22)18(16)23-19(11)24-6-4-14(25-3)5-7-24/h8-9,12,14H,4-7,22H2,1-3H3
InChIKeyFBTYMXRADTYURD-UHFFFAOYSA-N
XLogP3.70
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

amino-[4-[6-chloro-4-cyano-2-(4-methoxypiperidin-1-yl)-3-methylquinolin-8-yl]-2-methylpent-3-en-2-yl]-oxidosulfanium
CID 175992733
8-(1-aminoethyl)-6-fluoro-3-methyl-2-(oxan-4-yl)quinoline-4-carbonitrile
CID 170753045
2-chloro-6-(4-methoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073102
2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine
CID 102750334
4-(4-cyano-3,6-dimethyl-2-morpholin-4-ylquinolin-8-yl)-2-methylpentane-2-sulfonamide
CID 175992763
2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 79075665
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
8-bromo-2,6-dichloro-3-methylquinoline-4-carbonitrile
CID 170753057
8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753730
3,5-dichloro-N-ethyl-6-(4-methoxypiperidin-1-yl)pyridin-2-amine
CID 102755942
methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate
CID 170906680
1-[5-chloro-2-(4-methoxypiperidin-1-yl)phenyl]propan-2-amine
CID 114860582

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile?
The IUPAC name of 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile (CID 175992583) is 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile.
What is the SMILES notation for 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile?
The canonical SMILES for 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile is COC1CCN(c2nc3c(C(C)N)cc(Cl)cc3c(C#N)c2C)CC1.
What is the InChIKey of 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile?
The InChIKey is FBTYMXRADTYURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-11-17(10-21)16-9-13(20)8-15(12(2)22)18(16)23-19(11)24-6-4-14(25-3)5-7-24/h8-9,12,14H,4-7,22H2,1-3H3.
What are the key properties of 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile?
8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile has a molecular weight of 358.87 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-6-chloro-2-(4-methoxypiperidin-1-yl)-3-methylquinoline-4-carbonitrile is sourced from PubChem (CID 175992583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).