methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide

C27H32N4O3S — CID 157152915

IUPACmethane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESC.COc1c(C(=O)NCCN2CCCCC2)sc2c1c(=O)n(Cc1ccccn1)c1ccccc21
InChIInChI=1S/C26H28N4O3S.CH4/c1-33-22-21-23(34-24(22)25(31)28-13-16-29-14-7-2-8-15-29)19-10-3-4-11-20(19)30(26(21)32)17-18-9-5-6-12-27-18;/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,28,31);1H4
InChIKeyALLRROMQFUUOGD-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.52
Rot. Bonds7

About methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide

methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 157152915) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Namemethane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID157152915
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Namemethane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESC.COc1c(C(=O)NCCN2CCCCC2)sc2c1c(=O)n(Cc1ccccn1)c1ccccc21
InChIInChI=1S/C26H28N4O3S.CH4/c1-33-22-21-23(34-24(22)25(31)28-13-16-29-14-7-2-8-15-29)19-10-3-4-11-20(19)30(26(21)32)17-18-9-5-6-12-27-18;/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,28,31);1H4
InChIKeyALLRROMQFUUOGD-UHFFFAOYSA-N
XLogP4.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 147234724
3-methoxy-4-oxo-N-(3-propan-2-yloxypropyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892168
N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 123471951
2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66892684
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-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 123903317
N-[2-(dimethylamino)ethyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892835
N-(3-imidazol-1-ylpropyl)-5-methyl-3-(2-morpholin-4-ylethoxy)-4-oxothieno[3,2-c]quinoline-2-carboxamide;methane
CID 157410626
3-(4-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970842
N-(1-benzylpyrrolidin-3-yl)-3-methoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66891059
5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 20865333

Frequently Asked Questions

What is the IUPAC name of methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide (CID 157152915) is methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide is C.COc1c(C(=O)NCCN2CCCCC2)sc2c1c(=O)n(Cc1ccccn1)c1ccccc21.
What is the InChIKey of methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is ALLRROMQFUUOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S.CH4/c1-33-22-21-23(34-24(22)25(31)28-13-16-29-14-7-2-8-15-29)19-10-3-4-11-20(19)30(26(21)32)17-18-9-5-6-12-27-18;/h3-6,9-12H,2,7-8,13-17H2,1H3,(H,28,31);1H4.
What are the key properties of methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 157152915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).