1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide

C14H15N3OS — CID 110485892

IUPAC1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN1CCCc2cc(C(=O)Nc3nccs3)ccc21
InChIInChI=1S/C14H15N3OS/c1-17-7-2-3-10-9-11(4-5-12(10)17)13(18)16-14-15-6-8-19-14/h4-6,8-9H,2-3,7H2,1H3,(H,15,16,18)
InChIKeyDACKMQNRBGUHAN-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.78
Rot. Bonds2

About 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide

1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 110485892) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID110485892
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCN1CCCc2cc(C(=O)Nc3nccs3)ccc21
InChIInChI=1S/C14H15N3OS/c1-17-7-2-3-10-9-11(4-5-12(10)17)13(18)16-14-15-6-8-19-14/h4-6,8-9H,2-3,7H2,1H3,(H,15,16,18)
InChIKeyDACKMQNRBGUHAN-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 110485474
N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 30578108
N-[(2S)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 40947898
5,5-dioxo-N-(1,3-thiazol-2-yl)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide
CID 8762678
3-nitro-4-piperidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 4572034
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 7685953
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide
CID 112523521
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)indole-5-carboxamide
CID 112523570

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide (CID 110485892) is 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide is CN1CCCc2cc(C(=O)Nc3nccs3)ccc21.
What is the InChIKey of 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is DACKMQNRBGUHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17-7-2-3-10-9-11(4-5-12(10)17)13(18)16-14-15-6-8-19-14/h4-6,8-9H,2-3,7H2,1H3,(H,15,16,18).
What are the key properties of 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide?
1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 110485892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).