N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide

C17H15BrN2O2S — CID 86839473

IUPACN-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)N(C)Cc3csc(Br)c3)ccc2c1
InChIInChI=1S/C17H15BrN2O2S/c1-20(9-11-7-16(18)23-10-11)17(21)15-5-3-12-8-13(22-2)4-6-14(12)19-15/h3-8,10H,9H2,1-2H3
InChIKeyMNKGVTFEBWRWHV-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.34
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide (PubChem CID 86839473) has the molecular formula C17H15BrN2O2S and a molecular weight of 391.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
PubChem CID86839473
Molecular FormulaC17H15BrN2O2S
Molecular Weight391.29 g/mol
Exact Mass390.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)N(C)Cc3csc(Br)c3)ccc2c1
InChIInChI=1S/C17H15BrN2O2S/c1-20(9-11-7-16(18)23-10-11)17(21)15-5-3-12-8-13(22-2)4-6-14(12)19-15/h3-8,10H,9H2,1-2H3
InChIKeyMNKGVTFEBWRWHV-UHFFFAOYSA-N
XLogP4.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
N-[(2R)-2-hydroxypropyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 95972027
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945902
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
2-[(5-bromothiophen-3-yl)methyl-methylamino]-1-(4-methoxyphenyl)propan-1-one
CID 62037158
2-[(5-bromothiophen-3-yl)methyl-methylamino]-4-methoxybenzoic acid
CID 81304608
N-[(2-hydroxycyclopentyl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 109399670
N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
CID 113436313
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide (CID 86839473) is N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide is COc1ccc2nc(C(=O)N(C)Cc3csc(Br)c3)ccc2c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide?
The InChIKey is MNKGVTFEBWRWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O2S/c1-20(9-11-7-16(18)23-10-11)17(21)15-5-3-12-8-13(22-2)4-6-14(12)19-15/h3-8,10H,9H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide has a molecular weight of 391.29 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 86839473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).