propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate

C23H23FN2O3 — CID 46808074

IUPACpropan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(CC(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C23H23FN2O3/c1-14(2)29-22(27)13-21(16-7-5-4-6-8-16)26-23(28)19-11-17-9-10-18(24)12-20(17)25-15(19)3/h4-12,14,21H,13H2,1-3H3,(H,26,28)
InChIKeyCSVQEIPBHKBOTK-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.50
Rot. Bonds6

About propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate

propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate (PubChem CID 46808074) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate
PubChem CID46808074
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Namepropan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC(CC(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C23H23FN2O3/c1-14(2)29-22(27)13-21(16-7-5-4-6-8-16)26-23(28)19-11-17-9-10-18(24)12-20(17)25-15(19)3/h4-12,14,21H,13H2,1-3H3,(H,26,28)
InChIKeyCSVQEIPBHKBOTK-UHFFFAOYSA-N
XLogP4.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate 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

N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
propan-2-yl 3-[(2-methyl-5-methylsulfanylbenzoyl)amino]-3-phenylpropanoate
CID 55532937
N-[1-(3-chlorophenyl)ethyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 46665827
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 18168498
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
[2-(dimethylamino)-2-oxo-1-phenylethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 42895795
methyl 2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
CID 51128333
methyl (2R)-2-(4-bromophenyl)-2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]acetate
CID 52538002
propan-2-yl 3-[(3-methyl-2-nitrobenzoyl)amino]-3-phenylpropanoate
CID 46698905
7-fluoro-2-methyl-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-3-carboxamide
CID 46569951
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214921
propan-2-yl 3-[(3-methylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 46657556

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate (CID 46808074) is propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate is Cc1nc2cc(F)ccc2cc1C(=O)NC(CC(=O)OC(C)C)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is CSVQEIPBHKBOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-14(2)29-22(27)13-21(16-7-5-4-6-8-16)26-23(28)19-11-17-9-10-18(24)12-20(17)25-15(19)3/h4-12,14,21H,13H2,1-3H3,(H,26,28).
What are the key properties of propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate?
propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 394.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 46808074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).