6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide

C19H16ClFN2O2 — CID 39851401

IUPAC6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccccc2F)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H16ClFN2O2/c1-11(2)23-10-14(18(24)13-9-12(20)7-8-17(13)23)19(25)22-16-6-4-3-5-15(16)21/h3-11H,1-2H3,(H,22,25)
InChIKeyHMBISTZZNGMPQA-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.63
Rot. Bonds3

About 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide

6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 39851401) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID39851401
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccccc2F)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H16ClFN2O2/c1-11(2)23-10-14(18(24)13-9-12(20)7-8-17(13)23)19(25)22-16-6-4-3-5-15(16)21/h3-11H,1-2H3,(H,22,25)
InChIKeyHMBISTZZNGMPQA-UHFFFAOYSA-N
XLogP4.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 39851504
N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 39851443
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39851502
3,5-dichloro-1-propan-2-ylindole
CID 166553086
7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860436
N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
CID 114315417
3,5-dichloro-N-(2-fluorophenyl)-2-methoxybenzamide
CID 2993805
N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133240
2-chloro-N-(2-fluorophenyl)-5-methylbenzamide
CID 122630269
4-amino-N-(5-chloro-2-fluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643581
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 39851401) is 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide is CC(C)n1cc(C(=O)Nc2ccccc2F)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is HMBISTZZNGMPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-11(2)23-10-14(18(24)13-9-12(20)7-8-17(13)23)19(25)22-16-6-4-3-5-15(16)21/h3-11H,1-2H3,(H,22,25).
What are the key properties of 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 39851401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).