N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide

C19H16ClN3O2 — CID 171686511

IUPACN-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C19H16ClN3O2/c1-2-18(24)22-12-7-8-15(20)17(11-12)23-19(25)14-9-10-21-16-6-4-3-5-13(14)16/h3-11H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeySFTOMPJBCCNVAG-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.49
Rot. Bonds4

About N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide

N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide (PubChem CID 171686511) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
PubChem CID171686511
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C19H16ClN3O2/c1-2-18(24)22-12-7-8-15(20)17(11-12)23-19(25)14-9-10-21-16-6-4-3-5-13(14)16/h3-11H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeySFTOMPJBCCNVAG-UHFFFAOYSA-N
XLogP4.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
CID 895181
4-bromo-N-[2-chloro-5-(propanoylamino)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 1255864
N-[2-chloro-5-(propanoylamino)phenyl]-2-phenoxybenzamide
CID 55799168
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide
CID 112796034
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55799391
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
3,5-dibromo-N-[2-chloro-5-(propanoylamino)phenyl]-2-methoxybenzamide
CID 17117679

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide (CID 171686511) is N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccnc3ccccc23)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide?
The InChIKey is SFTOMPJBCCNVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-2-18(24)22-12-7-8-15(20)17(11-12)23-19(25)14-9-10-21-16-6-4-3-5-13(14)16/h3-11H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide?
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 171686511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).