N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide

C14H16FN3O — CID 120504965

IUPACN-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C14H16FN3O/c1-8(7-16)17-14(19)12-5-10-3-4-11(15)6-13(10)18-9(12)2/h3-6,8H,7,16H2,1-2H3,(H,17,19)/t8-/m0/s1
InChIKeyKEUXVADLKMPQJK-QMMMGPOBSA-N
MW261.30 g/mol
LogP1.76
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide

N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 120504965) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID120504965
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C14H16FN3O/c1-8(7-16)17-14(19)12-5-10-3-4-11(15)6-13(10)18-9(12)2/h3-6,8H,7,16H2,1-2H3,(H,17,19)/t8-/m0/s1
InChIKeyKEUXVADLKMPQJK-QMMMGPOBSA-N
XLogP1.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119598659
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119522928
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 18168498
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46665827
methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
CID 52538002
methyl 2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
CID 51128333
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119641458
propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate
CID 46808074
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide (CID 120504965) is N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is KEUXVADLKMPQJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8(7-16)17-14(19)12-5-10-3-4-11(15)6-13(10)18-9(12)2/h3-6,8H,7,16H2,1-2H3,(H,17,19)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 120504965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).