8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide

C22H19ClN2O2S — CID 50776630

IUPAC8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCC(C)O)sc3c2cnc2ccc(Cl)cc23)cc1
InChIInChI=1S/C22H19ClN2O2S/c1-12-3-5-14(6-4-12)19-17-11-24-18-8-7-15(23)9-16(18)20(17)28-21(19)22(27)25-10-13(2)26/h3-9,11,13,26H,10H2,1-2H3,(H,25,27)
InChIKeyKTDQAWBIFTXJOE-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.19
Rot. Bonds4

About 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide

8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776630) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776630
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC Name8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCC(C)O)sc3c2cnc2ccc(Cl)cc23)cc1
InChIInChI=1S/C22H19ClN2O2S/c1-12-3-5-14(6-4-12)19-17-11-24-18-8-7-15(23)9-16(18)20(17)28-21(19)22(27)25-10-13(2)26/h3-9,11,13,26H,10H2,1-2H3,(H,25,27)
InChIKeyKTDQAWBIFTXJOE-UHFFFAOYSA-N
XLogP5.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide (CID 50776630) is 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide is Cc1ccc(-c2c(C(=O)NCC(C)O)sc3c2cnc2ccc(Cl)cc23)cc1.
What is the InChIKey of 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is KTDQAWBIFTXJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-12-3-5-14(6-4-12)19-17-11-24-18-8-7-15(23)9-16(18)20(17)28-21(19)22(27)25-10-13(2)26/h3-9,11,13,26H,10H2,1-2H3,(H,25,27).
What are the key properties of 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide?
8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).