7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide

C22H15N3OS — CID 15997239

IUPAC7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)Nc4cnc5ccccc5c4)sc3nc2c1
InChIInChI=1S/C22H15N3OS/c1-13-6-7-15-9-16-11-20(27-22(16)25-19(15)8-13)21(26)24-17-10-14-4-2-3-5-18(14)23-12-17/h2-12H,1H3,(H,24,26)
InChIKeyNBKPPQCWYXDFPX-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.56
Rot. Bonds2

About 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide

7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 15997239) has the molecular formula C22H15N3OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID15997239
Molecular FormulaC22H15N3OS
Molecular Weight369.45 g/mol
Exact Mass369.09
IUPAC Name7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)Nc4cnc5ccccc5c4)sc3nc2c1
InChIInChI=1S/C22H15N3OS/c1-13-6-7-15-9-16-11-20(27-22(16)25-19(15)8-13)21(26)24-17-10-14-4-2-3-5-18(14)23-12-17/h2-12H,1H3,(H,24,26)
InChIKeyNBKPPQCWYXDFPX-UHFFFAOYSA-N
XLogP5.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-carboxamide
CID 11393847
N-ethyl-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57397762
N,N-dimethyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57399429
7-methyl-2-(5-methylthiophen-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909289
N,N-diethyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57395962
N-[[1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70683740
N-[[(2S,3R)-3-methyl-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70685887
N-(quinolin-8-yl)thiophene-2-carboxamide
CID 683655
8-Methyl-thieno[2,3-b]quinoline-2-carboxylic acid cyclopentylcarbamoylmethyl-(2,3-dimethyl-phenyl)-amide
CID 1457119
8-Methyl-thieno[2,3-b]quinoline-2-carboxylic acid cyclopentylcarbamoylmethyl-(2,5-dimethyl-phenyl)-amide
CID 1457133
6-Methyl-thieno[2,3-b]quinoline-2-carboxylic acid cyclopentylcarbamoylmethyl-(2,5-dimethyl-phenyl)-amide
CID 3219090
7-methyl-N-propan-2-ylthieno[2,3-b]quinoline-2-carboxamide
CID 3625962

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide (CID 15997239) is 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2cc3cc(C(=O)Nc4cnc5ccccc5c4)sc3nc2c1.
What is the InChIKey of 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is NBKPPQCWYXDFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3OS/c1-13-6-7-15-9-16-11-20(27-22(16)25-19(15)8-13)21(26)24-17-10-14-4-2-3-5-18(14)23-12-17/h2-12H,1H3,(H,24,26).
What are the key properties of 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide?
7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-quinolin-3-ylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15997239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).