N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride

C19H25Cl2N3O — CID 119617086

IUPACN-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NC(CN)C3CC3)c2c1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-11-2-7-16-14(8-11)15(9-17(21-16)12-3-4-12)19(23)22-18(10-20)13-5-6-13;;/h2,7-9,12-13,18H,3-6,10,20H2,1H3,(H,22,23);2*1H
InChIKeyHJDVMYBUVMUZGI-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.73
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119617086) has the molecular formula C19H25Cl2N3O and a molecular weight of 382.34 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
PubChem CID119617086
Molecular FormulaC19H25Cl2N3O
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
SMILESCc1ccc2nc(C3CC3)cc(C(=O)NC(CN)C3CC3)c2c1.Cl.Cl
InChIInChI=1S/C19H23N3O.2ClH/c1-11-2-7-16-14(8-11)15(9-17(21-16)12-3-4-12)19(23)22-18(10-20)13-5-6-13;;/h2,7-9,12-13,18H,3-6,10,20H2,1H3,(H,22,23);2*1H
InChIKeyHJDVMYBUVMUZGI-UHFFFAOYSA-N
XLogP3.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]acetic acid
CID 120521154
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]butanoic acid
CID 119347942
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropyl-6-methylquinoline-4-carboxamide
CID 119575448
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
2-cyclopropyl-6-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide;dihydrochloride
CID 119514049
N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 124698938
N-(2-amino-1-cyclopropylethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 119615030
3-[(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532251
N-(2-amino-1-cyclopropylethyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
CID 119616555
2-cyclopropyl-6-methyl-N-[3-[[(S)-methylsulfinyl]methyl]phenyl]quinoline-4-carboxamide
CID 96522697
2-[cyclopropyl-(2-cyclopropyl-6-methylquinoline-4-carbonyl)amino]propanoic acid
CID 120519214

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride (CID 119617086) is N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride is Cc1ccc2nc(C3CC3)cc(C(=O)NC(CN)C3CC3)c2c1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is HJDVMYBUVMUZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.2ClH/c1-11-2-7-16-14(8-11)15(9-17(21-16)12-3-4-12)19(23)22-18(10-20)13-5-6-13;;/h2,7-9,12-13,18H,3-6,10,20H2,1H3,(H,22,23);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 382.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119617086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).