2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline

C42H25N11 — CID 141107881

IUPAC2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline
SMILESc1ccc(-c2c(-c3cccnn3)c(-c3ccc4ncccc4n3)cc3nc(-c4ncc5ccccc5n4)c(-c4ccc[nH]4)c(-c4ncccn4)c23)nc1
InChIInChI=1S/C42H25N11/c1-2-10-27-25(9-1)24-48-42(52-27)40-38(32-13-6-19-45-32)39(41-46-20-8-21-47-41)37-34(51-40)23-26(28-15-16-29-30(50-28)12-5-18-43-29)35(33-14-7-22-49-53-33)36(37)31-11-3-4-17-44-31/h1-24,45H
InChIKeyCXNDZKQTGMGXSF-UHFFFAOYSA-N
MW683.74 g/mol
LogP8.43
Rot. Bonds6

About 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline

2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline (PubChem CID 141107881) has the molecular formula C42H25N11 and a molecular weight of 683.74 g/mol. Its IUPAC name is 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline.

Molecular Properties

Compound Name2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline
PubChem CID141107881
Molecular FormulaC42H25N11
Molecular Weight683.74 g/mol
Exact Mass683.23
IUPAC Name2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline
SMILESc1ccc(-c2c(-c3cccnn3)c(-c3ccc4ncccc4n3)cc3nc(-c4ncc5ccccc5n4)c(-c4ccc[nH]4)c(-c4ncccn4)c23)nc1
InChIInChI=1S/C42H25N11/c1-2-10-27-25(9-1)24-48-42(52-27)40-38(32-13-6-19-45-32)39(41-46-20-8-21-47-41)37-34(51-40)23-26(28-15-16-29-30(50-28)12-5-18-43-29)35(33-14-7-22-49-53-33)36(37)31-11-3-4-17-44-31/h1-24,45H
InChIKeyCXNDZKQTGMGXSF-UHFFFAOYSA-N
XLogP8.43
TPSA144.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.74
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline with MolForge

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Related Compounds

3-pyridin-2-yl-2-(1H-pyrrol-2-yl)quinoline
CID 140974379
2-(1H-pyrrol-2-yl)pyridine;quinoline
CID 174826591
3-pyrazin-2-yl-5-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline
CID 140995717
6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186214
2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
CID 141179419
7-isoquinolin-1-yl-6-phthalazin-1-yl-4-quinazolin-2-yl-8-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186223
3-pyridazin-3-yl-4-pyridin-2-ylpyridazine
CID 68868230
2-isoquinolin-1-yl-5-(1H-pyrrol-2-yl)-4-quinolin-2-ylquinazoline
CID 141121734
2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
CID 140979665
2-pyridin-2-ylquinazolin-7-amine
CID 163221690
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
1-quinazolin-2-ylphthalazine
CID 57181955

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline?
The IUPAC name of 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline (CID 141107881) is 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline.
What is the SMILES notation for 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline?
The canonical SMILES for 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline is c1ccc(-c2c(-c3cccnn3)c(-c3ccc4ncccc4n3)cc3nc(-c4ncc5ccccc5n4)c(-c4ccc[nH]4)c(-c4ncccn4)c23)nc1.
What is the InChIKey of 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline?
The InChIKey is CXNDZKQTGMGXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N11/c1-2-10-27-25(9-1)24-48-42(52-27)40-38(32-13-6-19-45-32)39(41-46-20-8-21-47-41)37-34(51-40)23-26(28-15-16-29-30(50-28)12-5-18-43-29)35(33-14-7-22-49-53-33)36(37)31-11-3-4-17-44-31/h1-24,45H.
What are the key properties of 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline?
2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline has a molecular weight of 683.74 g/mol, XLogP of 8.43, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,5-naphthyridin-2-yl)-6-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)quinolin-2-yl]quinazoline is sourced from PubChem (CID 141107881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).