N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid

C29H26FN3O2 — CID 174794508

IUPACN,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid
SMILESCCN(CC)c1cc2ccccc2nc1-c1ccc(F)cc1.O=C(O)c1ccc2ncccc2c1
InChIInChI=1S/C19H19FN2.C10H7NO2/c1-3-22(4-2)18-13-15-7-5-6-8-17(15)21-19(18)14-9-11-16(20)12-10-14;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h5-13H,3-4H2,1-2H3;1-6H,(H,12,13)
InChIKeyGJYDCFCOTNGFIP-UHFFFAOYSA-N
MW467.54 g/mol
LogP6.82
Rot. Bonds5

About N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid

N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid (PubChem CID 174794508) has the molecular formula C29H26FN3O2 and a molecular weight of 467.54 g/mol. Its IUPAC name is N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid.

Molecular Properties

Compound NameN,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid
PubChem CID174794508
Molecular FormulaC29H26FN3O2
Molecular Weight467.54 g/mol
Exact Mass467.20
IUPAC NameN,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid
SMILESCCN(CC)c1cc2ccccc2nc1-c1ccc(F)cc1.O=C(O)c1ccc2ncccc2c1
InChIInChI=1S/C19H19FN2.C10H7NO2/c1-3-22(4-2)18-13-15-7-5-6-8-17(15)21-19(18)14-9-11-16(20)12-10-14;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h5-13H,3-4H2,1-2H3;1-6H,(H,12,13)
InChIKeyGJYDCFCOTNGFIP-UHFFFAOYSA-N
XLogP6.82
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;quinoline-6-carboxylic acid
CID 91364452
3-[cyclopropyl(methyl)amino]-2-phenylquinoline-6-carboxylic acid
CID 141344770
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
5-fluoro-2-quinolin-6-ylbenzoic acid
CID 81224039
N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 86970978
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
1-phenylpropan-1-one;quinoline
CID 174570718
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
2-(4-fluorophenyl)-3-[methyl-[(1S)-1-phenylethyl]amino]quinoxaline-6-carboxylic acid
CID 70664881
2-(2H-benzotriazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoline-6-carboxylic acid
CID 141344712
3-methoxybenzoic acid;quinoline
CID 67785482

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid?
The IUPAC name of N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid (CID 174794508) is N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid.
What is the SMILES notation for N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid?
The canonical SMILES for N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid is CCN(CC)c1cc2ccccc2nc1-c1ccc(F)cc1.O=C(O)c1ccc2ncccc2c1.
What is the InChIKey of N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid?
The InChIKey is GJYDCFCOTNGFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2.C10H7NO2/c1-3-22(4-2)18-13-15-7-5-6-8-17(15)21-19(18)14-9-11-16(20)12-10-14;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h5-13H,3-4H2,1-2H3;1-6H,(H,12,13).
What are the key properties of N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid?
N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid has a molecular weight of 467.54 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-fluorophenyl)quinolin-3-amine;quinoline-6-carboxylic acid is sourced from PubChem (CID 174794508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).