6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline

C25H21N5 — CID 68998697

IUPAC6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
SMILESCN1Cc2cc(-c3ccc4ncncc4c3)ccc2C(c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C25H21N5/c1-30-13-21-9-16(17-3-6-24-19(8-17)11-26-15-27-24)2-5-22(21)23(14-30)18-4-7-25-20(10-18)12-28-29-25/h2-12,15,23H,13-14H2,1H3,(H,28,29)
InChIKeyZGWFVXHZNRABSX-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.75
Rot. Bonds2

About 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline

6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline (PubChem CID 68998697) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline.

Molecular Properties

Compound Name6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
PubChem CID68998697
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC Name6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
SMILESCN1Cc2cc(-c3ccc4ncncc4c3)ccc2C(c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C25H21N5/c1-30-13-21-9-16(17-3-6-24-19(8-17)11-26-15-27-24)2-5-22(21)23(14-30)18-4-7-25-20(10-18)12-28-29-25/h2-12,15,23H,13-14H2,1H3,(H,28,29)
InChIKeyZGWFVXHZNRABSX-UHFFFAOYSA-N
XLogP4.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 68994721
4-(1H-indazol-6-yl)-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 68994309
7-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline
CID 68996385
4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 142757860
7-fluoro-4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68996534
4-(1H-indazol-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997660
6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
CID 68995611
2-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 68997337
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
4-(1H-indol-6-yl)-2-methyl-7-pyrazin-2-yl-3,4-dihydro-1H-isoquinoline
CID 68997600
4-(1-benzothiophen-5-yl)-2-methyl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68997137
4-[6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-yl]morpholine
CID 68997934

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline?
The IUPAC name of 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline (CID 68998697) is 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline.
What is the SMILES notation for 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline?
The canonical SMILES for 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline is CN1Cc2cc(-c3ccc4ncncc4c3)ccc2C(c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline?
The InChIKey is ZGWFVXHZNRABSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5/c1-30-13-21-9-16(17-3-6-24-19(8-17)11-26-15-27-24)2-5-22(21)23(14-30)18-4-7-25-20(10-18)12-28-29-25/h2-12,15,23H,13-14H2,1H3,(H,28,29).
What are the key properties of 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline?
6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline has a molecular weight of 391.48 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]quinazoline is sourced from PubChem (CID 68998697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).