2-chloro-5-(quinoline-5-carbonylamino)benzoic acid

C17H11ClN2O3 — CID 146600948

IUPAC2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccc3ncccc23)ccc1Cl
InChIInChI=1S/C17H11ClN2O3/c18-14-7-6-10(9-13(14)17(22)23)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,(H,20,21)(H,22,23)
InChIKeyNDPCNRCDOYQGSJ-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.84
Rot. Bonds3

About 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid

2-chloro-5-(quinoline-5-carbonylamino)benzoic acid (PubChem CID 146600948) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
PubChem CID146600948
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2cccc3ncccc23)ccc1Cl
InChIInChI=1S/C17H11ClN2O3/c18-14-7-6-10(9-13(14)17(22)23)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,(H,20,21)(H,22,23)
InChIKeyNDPCNRCDOYQGSJ-UHFFFAOYSA-N
XLogP3.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
CID 122145334
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 32739299
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid (CID 146600948) is 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)c2cccc3ncccc23)ccc1Cl.
What is the InChIKey of 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid?
The InChIKey is NDPCNRCDOYQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c18-14-7-6-10(9-13(14)17(22)23)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,(H,20,21)(H,22,23).
What are the key properties of 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid?
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid has a molecular weight of 326.74 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(quinoline-5-carbonylamino)benzoic acid is sourced from PubChem (CID 146600948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).