7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one

C26H27N7OS — CID 154657593

IUPAC7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCCN(CC)CCNc1cc2nc(-c3ccc4ncccc4c3)c(-c3cnc(C)s3)nc2[nH]c1=O
InChIInChI=1S/C26H27N7OS/c1-4-33(5-2)12-11-28-21-14-20-25(32-26(21)34)31-24(22-15-29-16(3)35-22)23(30-20)18-8-9-19-17(13-18)7-6-10-27-19/h6-10,13-15,28H,4-5,11-12H2,1-3H3,(H,31,32,34)
InChIKeyFNWBNYBUBBPMMK-UHFFFAOYSA-N
MW485.62 g/mol
LogP4.72
Rot. Bonds8

About 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one

7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 154657593) has the molecular formula C26H27N7OS and a molecular weight of 485.62 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID154657593
Molecular FormulaC26H27N7OS
Molecular Weight485.62 g/mol
Exact Mass485.20
IUPAC Name7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCCN(CC)CCNc1cc2nc(-c3ccc4ncccc4c3)c(-c3cnc(C)s3)nc2[nH]c1=O
InChIInChI=1S/C26H27N7OS/c1-4-33(5-2)12-11-28-21-14-20-25(32-26(21)34)31-24(22-15-29-16(3)35-22)23(30-20)18-8-9-19-17(13-18)7-6-10-27-19/h6-10,13-15,28H,4-5,11-12H2,1-3H3,(H,31,32,34)
InChIKeyFNWBNYBUBBPMMK-UHFFFAOYSA-N
XLogP4.72
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one with MolForge

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Related Compounds

3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438827
3-(5-methylthiophen-2-yl)-7-pyrimidin-5-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657489
3-(5-methylthiophen-2-yl)-7-(2-oxo-1-pyridinyl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656404
7-(2-methyl-1,3-thiazol-5-yl)-3-(2-phenylethyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 159538525
N-[7-(2-methyl-1,3-thiazol-5-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridin-3-yl]benzamide
CID 137438077
3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438779
6-methyl-3-(5-methylthiophen-2-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656740
2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one
CID 70165143
7-(6-oxo-1H-pyridin-2-yl)-3-phenyl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656825
7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438139
N-ethyl-5,6-dimethyl-3-quinolin-6-ylpyrazin-2-amine
CID 81227648
2-[2-(diethylamino)ethylamino]-2-quinolin-6-ylacetonitrile
CID 63968929

Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one (CID 154657593) is 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one is CCN(CC)CCNc1cc2nc(-c3ccc4ncccc4c3)c(-c3cnc(C)s3)nc2[nH]c1=O.
What is the InChIKey of 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is FNWBNYBUBBPMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7OS/c1-4-33(5-2)12-11-28-21-14-20-25(32-26(21)34)31-24(22-15-29-16(3)35-22)23(30-20)18-8-9-19-17(13-18)7-6-10-27-19/h6-10,13-15,28H,4-5,11-12H2,1-3H3,(H,31,32,34).
What are the key properties of 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one?
7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 485.62 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethylamino]-3-(2-methyl-1,3-thiazol-5-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154657593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).