N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide

C19H24FN3O — CID 119654166

IUPACN-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C19H24FN3O/c1-19(2,10-21)11-23(3)18(24)15-9-17(12-4-5-12)22-16-7-6-13(20)8-14(15)16/h6-9,12H,4-5,10-11,21H2,1-3H3
InChIKeyLLPGHAWDCFTJAX-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.31
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide (PubChem CID 119654166) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
PubChem CID119654166
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C19H24FN3O/c1-19(2,10-21)11-23(3)18(24)15-9-17(12-4-5-12)22-16-7-6-13(20)8-14(15)16/h6-9,12H,4-5,10-11,21H2,1-3H3
InChIKeyLLPGHAWDCFTJAX-UHFFFAOYSA-N
XLogP3.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide (CID 119654166) is N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide is CN(CC(C)(C)CN)C(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide?
The InChIKey is LLPGHAWDCFTJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-19(2,10-21)11-23(3)18(24)15-9-17(12-4-5-12)22-16-7-6-13(20)8-14(15)16/h6-9,12H,4-5,10-11,21H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 119654166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).