2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide

C19H18BrN3OS — CID 112802320

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide
SMILESCN(Cc1ccc(Br)s1)c1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C19H18BrN3OS/c1-23(11-13-8-9-17(20)25-13)18-10-15(19(24)21-12-6-7-12)14-4-2-3-5-16(14)22-18/h2-5,8-10,12H,6-7,11H2,1H3,(H,21,24)
InChIKeyZEPWOCQFNNNHGQ-UHFFFAOYSA-N
MW416.34 g/mol
LogP4.59
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide (PubChem CID 112802320) has the molecular formula C19H18BrN3OS and a molecular weight of 416.34 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide
PubChem CID112802320
Molecular FormulaC19H18BrN3OS
Molecular Weight416.34 g/mol
Exact Mass415.04
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide
SMILESCN(Cc1ccc(Br)s1)c1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C19H18BrN3OS/c1-23(11-13-8-9-17(20)25-13)18-10-15(19(24)21-12-6-7-12)14-4-2-3-5-16(14)22-18/h2-5,8-10,12H,6-7,11H2,1H3,(H,21,24)
InChIKeyZEPWOCQFNNNHGQ-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide (CID 112802320) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide is CN(Cc1ccc(Br)s1)c1cc(C(=O)NC2CC2)c2ccccc2n1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide?
The InChIKey is ZEPWOCQFNNNHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3OS/c1-23(11-13-8-9-17(20)25-13)18-10-15(19(24)21-12-6-7-12)14-4-2-3-5-16(14)22-18/h2-5,8-10,12H,6-7,11H2,1H3,(H,21,24).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide has a molecular weight of 416.34 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 112802320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).