7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C26H17N5O2 — CID 137438840

IUPAC7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4cncnc4)cc3cc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C26H17N5O2/c1-15-4-7-23(33-15)24-20(16-5-6-22-17(9-16)3-2-8-29-22)10-18-11-21(19-12-27-14-28-13-19)26(32)31-25(18)30-24/h2-14H,1H3,(H,30,31,32)
InChIKeyLXOYBJXOAPEAFW-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.16
Rot. Bonds3

About 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 137438840) has the molecular formula C26H17N5O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID137438840
Molecular FormulaC26H17N5O2
Molecular Weight431.46 g/mol
Exact Mass431.14
IUPAC Name7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4cncnc4)cc3cc2-c2ccc3ncccc3c2)o1
InChIInChI=1S/C26H17N5O2/c1-15-4-7-23(33-15)24-20(16-5-6-22-17(9-16)3-2-8-29-22)10-18-11-21(19-12-27-14-28-13-19)26(32)31-25(18)30-24/h2-14H,1H3,(H,30,31,32)
InChIKeyLXOYBJXOAPEAFW-UHFFFAOYSA-N
XLogP5.16
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
4-bromo-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438175
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-methylfuran-2-yl)-7-pyridin-3-yl-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154657332
7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438252
3-hydroxy-7-(2-methyl-1,3-thiazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438827
7-(5-methylthiophen-2-yl)-3-morpholin-4-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438139
N'-[3-acetyl-6-(5-methylfuran-2-yl)-5-quinolin-6-yl-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 137423254
6-(3H-benzimidazol-5-yl)-7-(furan-2-yl)-1H-1,8-naphthyridin-4-one;6-(3-chlorophenyl)-7-phenyl-1H-1,8-naphthyridin-2-one;6-(3-chlorophenyl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;7-pyridin-3-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 159845232
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-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
N-methyl-1-(5-quinolin-6-ylfuran-2-yl)ethanamine
CID 55097450

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 137438840) is 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)c(-c4cncnc4)cc3cc2-c2ccc3ncccc3c2)o1.
What is the InChIKey of 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is LXOYBJXOAPEAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O2/c1-15-4-7-23(33-15)24-20(16-5-6-22-17(9-16)3-2-8-29-22)10-18-11-21(19-12-27-14-28-13-19)26(32)31-25(18)30-24/h2-14H,1H3,(H,30,31,32).
What are the key properties of 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 431.46 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 137438840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).