N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride

C22H30ClN3 — CID 19992197

IUPACN-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride
SMILESCCCN1CCCC2Cc3nc(NCc4ccccc4)ccc3CC21.Cl
InChIInChI=1S/C22H29N3.ClH/c1-2-12-25-13-6-9-19-14-20-18(15-21(19)25)10-11-22(24-20)23-16-17-7-4-3-5-8-17;/h3-5,7-8,10-11,19,21H,2,6,9,12-16H2,1H3,(H,23,24);1H
InChIKeyOIPRVVSONLPFOY-UHFFFAOYSA-N
MW371.96 g/mol
LogP4.70
Rot. Bonds5

About N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride

N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride (PubChem CID 19992197) has the molecular formula C22H30ClN3 and a molecular weight of 371.96 g/mol. Its IUPAC name is N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride
PubChem CID19992197
Molecular FormulaC22H30ClN3
Molecular Weight371.96 g/mol
Exact Mass371.21
IUPAC NameN-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride
SMILESCCCN1CCCC2Cc3nc(NCc4ccccc4)ccc3CC21.Cl
InChIInChI=1S/C22H29N3.ClH/c1-2-12-25-13-6-9-19-14-20-18(15-21(19)25)10-11-22(24-20)23-16-17-7-4-3-5-8-17;/h3-5,7-8,10-11,19,21H,2,6,9,12-16H2,1H3,(H,23,24);1H
InChIKeyOIPRVVSONLPFOY-UHFFFAOYSA-N
XLogP4.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.96
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride with MolForge

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Related Compounds

N-methyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
CID 14837425
(5aS,9aS)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine
CID 18640057
(4aR,8aR)-2-bromo-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;hydrochloride
CID 67935523
(4aR,8aR)-2-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinoline;dihydrochloride
CID 67935585
(4aR,8aR)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine;dihydrochloride
CID 88521592
(4aS,8aS)-N-methyl-5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
CID 18599020
(4aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline;hydrochloride
CID 68652391
(4aR,8aR)-N,5-dipropyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;sulfuric acid
CID 67935624
(5aR,9aR)-N,N,6-triethyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
CID 57094492
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
CID 130645060
[(4aR,10aR)-7-methyl-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-yl]oxy-tri(propan-2-yl)silane
CID 158390149
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride?
The IUPAC name of N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride (CID 19992197) is N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride is CCCN1CCCC2Cc3nc(NCc4ccccc4)ccc3CC21.Cl.
What is the InChIKey of N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride?
The InChIKey is OIPRVVSONLPFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3.ClH/c1-2-12-25-13-6-9-19-14-20-18(15-21(19)25)10-11-22(24-20)23-16-17-7-4-3-5-8-17;/h3-5,7-8,10-11,19,21H,2,6,9,12-16H2,1H3,(H,23,24);1H.
What are the key properties of N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride?
N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride has a molecular weight of 371.96 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinolin-2-amine;hydrochloride is sourced from PubChem (CID 19992197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).