N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride

C15H20Cl2FN3O — CID 119522928

IUPACN-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)(C)CN.Cl.Cl
InChIInChI=1S/C15H18FN3O.2ClH/c1-9-12(14(20)19-15(2,3)8-17)6-10-4-5-11(16)7-13(10)18-9;;/h4-7H,8,17H2,1-3H3,(H,19,20);2*1H
InChIKeySCMRHMNXAPPDAT-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.99
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride (PubChem CID 119522928) has the molecular formula C15H20Cl2FN3O and a molecular weight of 348.25 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
PubChem CID119522928
Molecular FormulaC15H20Cl2FN3O
Molecular Weight348.25 g/mol
Exact Mass347.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(C)(C)CN.Cl.Cl
InChIInChI=1S/C15H18FN3O.2ClH/c1-9-12(14(20)19-15(2,3)8-17)6-10-4-5-11(16)7-13(10)18-9;;/h4-7H,8,17H2,1-3H3,(H,19,20);2*1H
InChIKeySCMRHMNXAPPDAT-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119573824
N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119598659
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 17469585
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-(4-methylphenyl)benzamide;hydrochloride
CID 119521671
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride (CID 119522928) is N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride is Cc1nc2cc(F)ccc2cc1C(=O)NC(C)(C)CN.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride?
The InChIKey is SCMRHMNXAPPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O.2ClH/c1-9-12(14(20)19-15(2,3)8-17)6-10-4-5-11(16)7-13(10)18-9;;/h4-7H,8,17H2,1-3H3,(H,19,20);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride has a molecular weight of 348.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119522928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).