N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide

C29H29N3O5S — CID 123903317

IUPACN-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)NCC2CCCCN2C(C)=O)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C29H29N3O5S/c1-18(33)31-15-9-8-12-20(31)16-30-28(35)27-25(37-2)24-26(38-27)21-13-6-7-14-22(21)32(29(24)36)17-23(34)19-10-4-3-5-11-19/h3-7,10-11,13-14,20H,8-9,12,15-17H2,1-2H3,(H,30,35)
InChIKeyUGKUBQAAOBTDEX-UHFFFAOYSA-N
MW531.63 g/mol
LogP4.24
Rot. Bonds7

About N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide

N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 123903317) has the molecular formula C29H29N3O5S and a molecular weight of 531.63 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID123903317
Molecular FormulaC29H29N3O5S
Molecular Weight531.63 g/mol
Exact Mass531.18
IUPAC NameN-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)NCC2CCCCN2C(C)=O)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C29H29N3O5S/c1-18(33)31-15-9-8-12-20(31)16-30-28(35)27-25(37-2)24-26(38-27)21-13-6-7-14-22(21)32(29(24)36)17-23(34)19-10-4-3-5-11-19/h3-7,10-11,13-14,20H,8-9,12,15-17H2,1-2H3,(H,30,35)
InChIKeyUGKUBQAAOBTDEX-UHFFFAOYSA-N
XLogP4.24
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.63
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 162323075
3-methoxy-N-(4-methylpentyl)-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 58092844
N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 70809892
5-butyl-3-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66893373
N-(2-aminocyclohexyl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893035
N-[(1S,2S)-2-aminocyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893032
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 66893184
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893183
N-[1-(2-hydroxyethyl)-2-methylpiperidin-4-yl]-3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856696
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 19008809
5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66893323
[2-(cyclohexylamino)-2-oxoethyl] acetate;3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856800

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide (CID 123903317) is N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)NCC2CCCCN2C(C)=O)sc2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.
What is the InChIKey of N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is UGKUBQAAOBTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5S/c1-18(33)31-15-9-8-12-20(31)16-30-28(35)27-25(37-2)24-26(38-27)21-13-6-7-14-22(21)32(29(24)36)17-23(34)19-10-4-3-5-11-19/h3-7,10-11,13-14,20H,8-9,12,15-17H2,1-2H3,(H,30,35).
What are the key properties of N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide?
N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 531.63 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 123903317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).