ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide

C26H29N3O4S — CID 143856820

IUPACethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide
SMILESCC.Cn1c(=O)c2c(OCc3ccncc3)c(C(=O)NCC3CCCO3)sc2c2ccccc21
InChIInChI=1S/C24H23N3O4S.C2H6/c1-27-18-7-3-2-6-17(18)21-19(24(27)29)20(31-14-15-8-10-25-11-9-15)22(32-21)23(28)26-13-16-5-4-12-30-16;1-2/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,26,28);1-2H3
InChIKeySBBDEIVWIRKVBJ-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.66
Rot. Bonds6

About ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide

ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 143856820) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Nameethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID143856820
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Nameethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide
SMILESCC.Cn1c(=O)c2c(OCc3ccncc3)c(C(=O)NCC3CCCO3)sc2c2ccccc21
InChIInChI=1S/C24H23N3O4S.C2H6/c1-27-18-7-3-2-6-17(18)21-19(24(27)29)20(31-14-15-8-10-25-11-9-15)22(32-21)23(28)26-13-16-5-4-12-30-16;1-2/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,26,28);1-2H3
InChIKeySBBDEIVWIRKVBJ-UHFFFAOYSA-N
XLogP4.66
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

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
5-methyl-2-(4-methylpiperazine-1-carbonyl)-3-phenylmethoxythieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66893185
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
5-methyl-N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 123734493
2,3,5-trimethyl-4-oxo-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 52985518
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92869820
1-methyl-N-[[(2S)-oxan-2-yl]methyl]indole-3-carboxamide
CID 94201114
N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 123903317
1-[(3-methyl-4-oxoquinazolin-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 97352945
4-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrolo[3,2-b]indole-2-carboxamide
CID 97441774

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide (CID 143856820) is ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide is CC.Cn1c(=O)c2c(OCc3ccncc3)c(C(=O)NCC3CCCO3)sc2c2ccccc21.
What is the InChIKey of ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is SBBDEIVWIRKVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S.C2H6/c1-27-18-7-3-2-6-17(18)21-19(24(27)29)20(31-14-15-8-10-25-11-9-15)22(32-21)23(28)26-13-16-5-4-12-30-16;1-2/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,26,28);1-2H3.
What are the key properties of ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide?
ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4-oxo-N-(oxolan-2-ylmethyl)-3-(pyridin-4-ylmethoxy)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 143856820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).