N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C17H20N2OS — CID 60939384

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H20N2OS/c1-12-7-9-21-16(12)11-19(2)17(20)14-5-6-15-13(10-14)4-3-8-18-15/h5-7,9-10,18H,3-4,8,11H2,1-2H3
InChIKeySANXWTLGDAEOCI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.69
Rot. Bonds3

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 60939384) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID60939384
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H20N2OS/c1-12-7-9-21-16(12)11-19(2)17(20)14-5-6-15-13(10-14)4-3-8-18-15/h5-7,9-10,18H,3-4,8,11H2,1-2H3
InChIKeySANXWTLGDAEOCI-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43514684
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60946268
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60937956
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
CID 63717490
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51181597
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
2,3-dihydro-1H-indol-5-yl-(3-methylthiophen-2-yl)methanone
CID 116554116
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9395109
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325599
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-5-carboxamide
CID 60937937
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 60939384) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is SANXWTLGDAEOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-7-9-21-16(12)11-19(2)17(20)14-5-6-15-13(10-14)4-3-8-18-15/h5-7,9-10,18H,3-4,8,11H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 60939384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).