N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide

C16H12ClN3O — CID 62851104

IUPACN-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
SMILESNc1cc(NC(=O)c2cccc3ncccc23)ccc1Cl
InChIInChI=1S/C16H12ClN3O/c17-13-7-6-10(9-14(13)18)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,18H2,(H,20,21)
InChIKeyBDDOETPPBAOVMU-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.72
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide

N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide (PubChem CID 62851104) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
PubChem CID62851104
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
SMILESNc1cc(NC(=O)c2cccc3ncccc23)ccc1Cl
InChIInChI=1S/C16H12ClN3O/c17-13-7-6-10(9-14(13)18)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,18H2,(H,20,21)
InChIKeyBDDOETPPBAOVMU-UHFFFAOYSA-N
XLogP3.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
N-(3-amino-4-pyridinyl)quinoline-5-carboxamide
CID 63062942
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
CID 122145334
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)quinoline-5-carboxamide
CID 34278013
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide (CID 62851104) is N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide is Nc1cc(NC(=O)c2cccc3ncccc23)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide?
The InChIKey is BDDOETPPBAOVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-7-6-10(9-14(13)18)20-16(21)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H,18H2,(H,20,21).
What are the key properties of N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide?
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide is sourced from PubChem (CID 62851104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).