N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide

C17H15N3O — CID 62848806

IUPACN-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
SMILESNCc1ccc(NC(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C17H15N3O/c18-11-12-6-8-13(9-7-12)20-17(21)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2,(H,20,21)
InChIKeyKORTUHQZHBLCFM-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide

N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide (PubChem CID 62848806) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
PubChem CID62848806
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
SMILESNCc1ccc(NC(=O)c2cccc3ncccc23)cc1
InChIInChI=1S/C17H15N3O/c18-11-12-6-8-13(9-7-12)20-17(21)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2,(H,20,21)
InChIKeyKORTUHQZHBLCFM-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide
CID 174913098
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide
CID 167894893
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071
N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
CID 122145334

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide (CID 62848806) is N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide is NCc1ccc(NC(=O)c2cccc3ncccc23)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide?
The InChIKey is KORTUHQZHBLCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-11-12-6-8-13(9-7-12)20-17(21)15-3-1-5-16-14(15)4-2-10-19-16/h1-10H,11,18H2,(H,20,21).
What are the key properties of N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide?
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide is sourced from PubChem (CID 62848806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).