[[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid

C24H19FN4O3 — CID 68829851

IUPAC[[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid
SMILESCN(C(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)N(C(=O)O)c1ccccc1
InChIInChI=1S/C24H19FN4O3/c1-28(29(24(31)32)17-7-3-2-4-8-17)23(30)20-18-9-5-6-10-19(18)27-22(21(20)26)15-11-13-16(25)14-12-15/h2-14H,26H2,1H3,(H,31,32)
InChIKeyZCMNWNJYCCRORF-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.79
Rot. Bonds3

About [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid

[[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid (PubChem CID 68829851) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid.

Molecular Properties

Compound Name[[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid
PubChem CID68829851
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name[[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid
SMILESCN(C(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)N(C(=O)O)c1ccccc1
InChIInChI=1S/C24H19FN4O3/c1-28(29(24(31)32)17-7-3-2-4-8-17)23(30)20-18-9-5-6-10-19(18)27-22(21(20)26)15-11-13-16(25)14-12-15/h2-14H,26H2,1H3,(H,31,32)
InChIKeyZCMNWNJYCCRORF-UHFFFAOYSA-N
XLogP4.79
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[3-amino-2-(3,5-difluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid
CID 68829047
[[3-amino-2-(2,6-difluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid
CID 68830385
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
3-(4-fluorophenyl)cinnoline-4-carboxylic acid
CID 125493041
2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
CID 18073377
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
N,N-dimethylacridine-9-carboxamide
CID 125496081
3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
CID 15085956
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
CID 43823131
2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate
CID 7097759

Frequently Asked Questions

What is the IUPAC name of [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid?
The IUPAC name of [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid (CID 68829851) is [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid.
What is the SMILES notation for [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid?
The canonical SMILES for [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid is CN(C(=O)c1c(N)c(-c2ccc(F)cc2)nc2ccccc12)N(C(=O)O)c1ccccc1.
What is the InChIKey of [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid?
The InChIKey is ZCMNWNJYCCRORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-28(29(24(31)32)17-7-3-2-4-8-17)23(30)20-18-9-5-6-10-19(18)27-22(21(20)26)15-11-13-16(25)14-12-15/h2-14H,26H2,1H3,(H,31,32).
What are the key properties of [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid?
[[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid has a molecular weight of 430.44 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-amino-2-(4-fluorophenyl)quinoline-4-carbonyl]-methylamino]-phenylcarbamic acid is sourced from PubChem (CID 68829851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).