7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C26H22N4O2S — CID 137438139

IUPAC7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C26H22N4O2S/c1-16-4-7-23(33-16)24-20(17-5-6-21-18(13-17)3-2-8-27-21)14-19-15-22(26(31)29-25(19)28-24)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,28,29,31)
InChIKeyZHJCEDFMOPVOCA-UHFFFAOYSA-N
MW454.56 g/mol
LogP5.01
Rot. Bonds3

About 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438139) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438139
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC Name7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1
InChIInChI=1S/C26H22N4O2S/c1-16-4-7-23(33-16)24-20(17-5-6-21-18(13-17)3-2-8-27-21)14-19-15-22(26(31)29-25(19)28-24)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,28,29,31)
InChIKeyZHJCEDFMOPVOCA-UHFFFAOYSA-N
XLogP5.01
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-methylthiophen-2-yl)-7-(2-oxo-1-pyridinyl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656404
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
6-methyl-3-(5-methylthiophen-2-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656740
3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
7-(5-methylthiophen-2-yl)-2-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-4-carboxamide
CID 137438841
7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438840
N-benzyl-7-(5-methylthiophen-2-yl)-4-oxo-6-quinolin-6-yl-1H-1,8-naphthyridine-2-carboxamide
CID 137438794
7-(5-methylthiophen-2-yl)-2-(3-phenylpropanoyl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 153147691
4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine
CID 42477763
3-cyclopropyl-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438779
[2-(2-amino-3-morpholin-4-ylquinolin-6-yl)-3-methylphenyl]-(3-methyl-2-pyridinyl)methanone
CID 71253478

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438139) is 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)c(N4CCOCC4)cc3cc2-c2ccc3ncccc3c2)s1.
What is the InChIKey of 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is ZHJCEDFMOPVOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-16-4-7-23(33-16)24-20(17-5-6-21-18(13-17)3-2-8-27-21)14-19-15-22(26(31)29-25(19)28-24)30-9-11-32-12-10-30/h2-8,13-15H,9-12H2,1H3,(H,28,29,31).
What are the key properties of 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 454.56 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).