N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide

C18H15BrN2O2 — CID 118091177

IUPACN-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc2ncccc2cc1O
InChIInChI=1S/C18H15BrN2O2/c1-21(11-13-5-2-3-7-15(13)19)18(23)14-10-16-12(9-17(14)22)6-4-8-20-16/h2-10,22H,11H2,1H3
InChIKeyYVVMEPZCTUWCQN-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.98
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide

N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide (PubChem CID 118091177) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide
PubChem CID118091177
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC NameN-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cc2ncccc2cc1O
InChIInChI=1S/C18H15BrN2O2/c1-21(11-13-5-2-3-7-15(13)19)18(23)14-10-16-12(9-17(14)22)6-4-8-20-16/h2-10,22H,11H2,1H3
InChIKeyYVVMEPZCTUWCQN-UHFFFAOYSA-N
XLogP3.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide (CID 118091177) is N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cc2ncccc2cc1O.
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide?
The InChIKey is YVVMEPZCTUWCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-21(11-13-5-2-3-7-15(13)19)18(23)14-10-16-12(9-17(14)22)6-4-8-20-16/h2-10,22H,11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide?
N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide has a molecular weight of 371.23 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-6-hydroxy-N-methylquinoline-7-carboxamide is sourced from PubChem (CID 118091177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).