3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide

C25H29N5O3S — CID 147234724

IUPAC3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCNCCNCCCNC(=O)c1sc2c(c1OC)c(=O)n(Cc1ccccn1)c1ccccc21
InChIInChI=1S/C25H29N5O3S/c1-26-14-15-27-11-7-13-29-24(31)23-21(33-2)20-22(34-23)18-9-3-4-10-19(18)30(25(20)32)16-17-8-5-6-12-28-17/h3-6,8-10,12,26-27H,7,11,13-16H2,1-2H3,(H,29,31)
InChIKeyCJPACWOETMDFBR-UHFFFAOYSA-N
MW479.61 g/mol
LogP2.60
Rot. Bonds11

About 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide

3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 147234724) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID147234724
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCNCCNCCCNC(=O)c1sc2c(c1OC)c(=O)n(Cc1ccccn1)c1ccccc21
InChIInChI=1S/C25H29N5O3S/c1-26-14-15-27-11-7-13-29-24(31)23-21(33-2)20-22(34-23)18-9-3-4-10-19(18)30(25(20)32)16-17-8-5-6-12-28-17/h3-6,8-10,12,26-27H,7,11,13-16H2,1-2H3,(H,29,31)
InChIKeyCJPACWOETMDFBR-UHFFFAOYSA-N
XLogP2.60
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 157152915
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
3-methoxy-N-(4-methylpentyl)-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 58092844
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
N-[2-(dimethylamino)ethyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892835
1-[4-(methylamino)butyl]-3-(pyridin-2-ylmethyl)benzimidazol-2-one
CID 21273540
3-methoxy-4-oxo-5-phenacyl-N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 162323075
N-butyl-3-methoxythieno[2,3-b]pyridine-2-carboxamide
CID 54278468
N-ethyl-3-methoxy-N-methyl-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 70809892
3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 70973256
N-[(1-acetylpiperidin-2-yl)methyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide
CID 123903317

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide (CID 147234724) is 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide is CNCCNCCCNC(=O)c1sc2c(c1OC)c(=O)n(Cc1ccccn1)c1ccccc21.
What is the InChIKey of 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is CJPACWOETMDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-26-14-15-27-11-7-13-29-24(31)23-21(33-2)20-22(34-23)18-9-3-4-10-19(18)30(25(20)32)16-17-8-5-6-12-28-17/h3-6,8-10,12,26-27H,7,11,13-16H2,1-2H3,(H,29,31).
What are the key properties of 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 2.60, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 147234724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).