N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride

C17H23Cl2N3O — CID 119408408

IUPACN-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NCCCN)c2c1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-11-3-6-15-13(9-11)14(17(21)19-8-2-7-18)10-16(20-15)12-4-5-12;;/h3,6,9-10,12H,2,4-5,7-8,18H2,1H3,(H,19,21);2*1H
InChIKeyBIQXUZSYFRMEGR-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.34
Rot. Bonds5

About N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride

N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119408408) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
PubChem CID119408408
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC NameN-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NCCCN)c2c1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-11-3-6-15-13(9-11)14(17(21)19-8-2-7-18)10-16(20-15)12-4-5-12;;/h3,6,9-10,12H,2,4-5,7-8,18H2,1H3,(H,19,21);2*1H
InChIKeyBIQXUZSYFRMEGR-UHFFFAOYSA-N
XLogP3.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
N-(2-aminoethyl)-6-chloro-2-cyclopropylquinoline-4-carboxamide
CID 119384244
N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119617086
2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119514049
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropyl-6-methylquinoline-4-carboxamide
CID 119575448
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
CID 119347942
6-chloro-2-cyclopropyl-N-[2-(ethylamino)ethyl]quinoline-4-carboxamide
CID 119507689
5-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]pentanoic acid
CID 120525344
2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
CID 120521154
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532251
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride (CID 119408408) is N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride is Cc1ccc2nc(C3CC3)cc(C(=O)NCCCN)c2c1.Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is BIQXUZSYFRMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-11-3-6-15-13(9-11)14(17(21)19-8-2-7-18)10-16(20-15)12-4-5-12;;/h3,6,9-10,12H,2,4-5,7-8,18H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride?
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119408408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).