4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide

C21H18ClN3OS — CID 51037077

IUPAC4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12
InChIInChI=1S/C21H18ClN3OS/c1-12(2)23-21(26)14-7-5-6-13-18(14)25-20(15-10-11-27-19(13)15)24-17-9-4-3-8-16(17)22/h3-12H,1-2H3,(H,23,26)(H,24,25)
InChIKeyIPHAYKOVOZPGJS-UHFFFAOYSA-N
MW395.92 g/mol
LogP5.98
Rot. Bonds4

About 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide

4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide (PubChem CID 51037077) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide
PubChem CID51037077
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC Name4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12
InChIInChI=1S/C21H18ClN3OS/c1-12(2)23-21(26)14-7-5-6-13-18(14)25-20(15-10-11-27-19(13)15)24-17-9-4-3-8-16(17)22/h3-12H,1-2H3,(H,23,26)(H,24,25)
InChIKeyIPHAYKOVOZPGJS-UHFFFAOYSA-N
XLogP5.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.92
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloroanilino)-N-(2-morpholin-4-ylethyl)thieno[2,3-c]quinoline-6-carboxamide
CID 58189588
4-[(2-chlorophenyl)methylamino]-N-methylthieno[2,3-c]quinoline-6-carboxamide
CID 51037499
8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide
CID 53016674
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
3-chloro-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 142678332
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 665429
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893
3-[(2-chlorobenzoyl)amino]-4-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 11313245
2-chloro-N-(3-chloro-2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214079
N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 36983613
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide?
The IUPAC name of 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide (CID 51037077) is 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide.
What is the SMILES notation for 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide?
The canonical SMILES for 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide is CC(C)NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12.
What is the InChIKey of 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide?
The InChIKey is IPHAYKOVOZPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c1-12(2)23-21(26)14-7-5-6-13-18(14)25-20(15-10-11-27-19(13)15)24-17-9-4-3-8-16(17)22/h3-12H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide?
4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide has a molecular weight of 395.92 g/mol, XLogP of 5.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide is sourced from PubChem (CID 51037077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).