3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane

C29H41N5O3S — CID 142528416

IUPAC3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane
SMILESCC.CCC.Cc1ccc2c(N)c(C(=O)NC3CCc4nc(N5CCC6(C5)OCCO6)ccc4C3)sc2n1
InChIInChI=1S/C24H27N5O3S.C3H8.C2H6/c1-14-2-5-17-20(25)21(33-23(17)26-14)22(30)27-16-4-6-18-15(12-16)3-7-19(28-18)29-9-8-24(13-29)31-10-11-32-24;1-3-2;1-2/h2-3,5,7,16H,4,6,8-13,25H2,1H3,(H,27,30);3H2,1-2H3;1-2H3
InChIKeyGVCKDCLAOZJCHA-UHFFFAOYSA-N
MW539.75 g/mol
LogP5.26
Rot. Bonds3

About 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane

3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane (PubChem CID 142528416) has the molecular formula C29H41N5O3S and a molecular weight of 539.75 g/mol. Its IUPAC name is 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane.

Molecular Properties

Compound Name3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane
PubChem CID142528416
Molecular FormulaC29H41N5O3S
Molecular Weight539.75 g/mol
Exact Mass539.29
IUPAC Name3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane
SMILESCC.CCC.Cc1ccc2c(N)c(C(=O)NC3CCc4nc(N5CCC6(C5)OCCO6)ccc4C3)sc2n1
InChIInChI=1S/C24H27N5O3S.C3H8.C2H6/c1-14-2-5-17-20(25)21(33-23(17)26-14)22(30)27-16-4-6-18-15(12-16)3-7-19(28-18)29-9-8-24(13-29)31-10-11-32-24;1-3-2;1-2/h2-3,5,7,16H,4,6,8-13,25H2,1H3,(H,27,30);3H2,1-2H3;1-2H3
InChIKeyGVCKDCLAOZJCHA-UHFFFAOYSA-N
XLogP5.26
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.75
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane with MolForge

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Related Compounds

1-amino-5-(4-morpholinyl)-N-(2-phenylethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 1258323
1-amino-N-benzyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3698747
3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 153311010
N-(4-acetylphenyl)-1-amino-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3323389
1-amino-N-(4-methylphenyl)-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3332484
1-amino-N-(3-methylphenyl)-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3405952
1-amino-N-methyl-5-(4-morpholinyl)-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3783816
1-amino-N-(2-methylphenyl)-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 3846910
1-amino-5-(morpholin-4-yl)-N-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 5131115
3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480326
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480330
3-amino-N-[(6S)-2-[(3S,4S)-3-(fluoromethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480331

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane?
The IUPAC name of 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane (CID 142528416) is 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane.
What is the SMILES notation for 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane?
The canonical SMILES for 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane is CC.CCC.Cc1ccc2c(N)c(C(=O)NC3CCc4nc(N5CCC6(C5)OCCO6)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane?
The InChIKey is GVCKDCLAOZJCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S.C3H8.C2H6/c1-14-2-5-17-20(25)21(33-23(17)26-14)22(30)27-16-4-6-18-15(12-16)3-7-19(28-18)29-9-8-24(13-29)31-10-11-32-24;1-3-2;1-2/h2-3,5,7,16H,4,6,8-13,25H2,1H3,(H,27,30);3H2,1-2H3;1-2H3.
What are the key properties of 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane?
3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane has a molecular weight of 539.75 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane is sourced from PubChem (CID 142528416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).