N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride

C23H29Cl2N3O2 — CID 119654263

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2cc(C(=O)N(C)CC(C)(C)CN)c3ccccc3n2)cc1.Cl.Cl
InChIInChI=1S/C23H27N3O2.2ClH/c1-23(2,14-24)15-26(3)22(27)19-13-21(16-9-11-17(28-4)12-10-16)25-20-8-6-5-7-18(19)20;;/h5-13H,14-15,24H2,1-4H3;2*1H
InChIKeyOMAJPBKHUHLVLF-UHFFFAOYSA-N
MW450.41 g/mol
LogP4.81
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride

N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride (PubChem CID 119654263) has the molecular formula C23H29Cl2N3O2 and a molecular weight of 450.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
PubChem CID119654263
Molecular FormulaC23H29Cl2N3O2
Molecular Weight450.41 g/mol
Exact Mass449.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
SMILESCOc1ccc(-c2cc(C(=O)N(C)CC(C)(C)CN)c3ccccc3n2)cc1.Cl.Cl
InChIInChI=1S/C23H27N3O2.2ClH/c1-23(2,14-24)15-26(3)22(27)19-13-21(16-9-11-17(28-4)12-10-16)25-20-8-6-5-7-18(19)20;;/h5-13H,14-15,24H2,1-4H3;2*1H
InChIKeyOMAJPBKHUHLVLF-UHFFFAOYSA-N
XLogP4.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264
N-(3-amino-2,2-dimethylpropyl)-7-fluoro-N-methyl-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119656995
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119653733
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
[2-(dibenzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23988368
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110077127
2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
CID 110165696
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
methyl (2S)-2-[methyl-(2-phenylquinoline-4-carbonyl)amino]-2-phenylpropanoate
CID 174344465

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride (CID 119654263) is N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride is COc1ccc(-c2cc(C(=O)N(C)CC(C)(C)CN)c3ccccc3n2)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride?
The InChIKey is OMAJPBKHUHLVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.2ClH/c1-23(2,14-24)15-26(3)22(27)19-13-21(16-9-11-17(28-4)12-10-16)25-20-8-6-5-7-18(19)20;;/h5-13H,14-15,24H2,1-4H3;2*1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride?
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride has a molecular weight of 450.41 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119654263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).