N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide

C27H29N3O2S — CID 20966475

IUPACN-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1cc2cc3cc(C)ccc3nc2s1)C1CCN(C)CC1
InChIInChI=1S/C27H29N3O2S/c1-18-8-9-23-20(14-18)15-21-16-25(33-26(21)28-23)27(31)30(22-10-12-29(2)13-11-22)17-19-6-4-5-7-24(19)32-3/h4-9,14-16,22H,10-13,17H2,1-3H3
InChIKeyPIERPURGSBAGPG-UHFFFAOYSA-N
MW459.62 g/mol
LogP5.50
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide

N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966475) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966475
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1cc2cc3cc(C)ccc3nc2s1)C1CCN(C)CC1
InChIInChI=1S/C27H29N3O2S/c1-18-8-9-23-20(14-18)15-21-16-25(33-26(21)28-23)27(31)30(22-10-12-29(2)13-11-22)17-19-6-4-5-7-24(19)32-3/h4-9,14-16,22H,10-13,17H2,1-3H3
InChIKeyPIERPURGSBAGPG-UHFFFAOYSA-N
XLogP5.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.62
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

6-Methoxy-2-[(4-methylpiperazin-1-yl)carbonyl]thieno[2,3-b]quinoline
CID 3240696
2-[(4-Ethylpiperazin-1-yl)carbonyl]-6-methoxythieno[2,3-b]quinoline
CID 3242523
N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 4180538
N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 5046601
N-butyl-7-methoxy-N-methyl-2-thieno[2,3-b]quinolinecarboxamide
CID 9550196
(4-Ethylpiperazin-1-yl)-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone
CID 9551194
4-chloro-N-(4-methoxyphenyl)-N-methylthieno[3,2-c]quinoline-2-carboxamide
CID 12004925
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 12005221
N-{3-[ethyl(3-methylphenyl)amino]propyl}-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990466
N-{3-[ethyl(phenyl)amino]propyl}-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990468
N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 15990496
3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866562

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide (CID 20966475) is N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide is COc1ccccc1CN(C(=O)c1cc2cc3cc(C)ccc3nc2s1)C1CCN(C)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is PIERPURGSBAGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c1-18-8-9-23-20(14-18)15-21-16-25(33-26(21)28-23)27(31)30(22-10-12-29(2)13-11-22)17-19-6-4-5-7-24(19)32-3/h4-9,14-16,22H,10-13,17H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-methyl-N-(1-methylpiperidin-4-yl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).