4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline

C20H22N4O2 — CID 176664922

IUPAC4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(Cc3ccc4c(c3)N(C)N(C)C4)c2cc1OC
InChIInChI=1S/C20H22N4O2/c1-23-11-14-6-5-13(8-18(14)24(23)2)7-16-15-9-19(25-3)20(26-4)10-17(15)22-12-21-16/h5-6,8-10,12H,7,11H2,1-4H3
InChIKeyJCHLODVHJRPBCM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.03
Rot. Bonds4

About 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline

4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline (PubChem CID 176664922) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline
PubChem CID176664922
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline
SMILESCOc1cc2ncnc(Cc3ccc4c(c3)N(C)N(C)C4)c2cc1OC
InChIInChI=1S/C20H22N4O2/c1-23-11-14-6-5-13(8-18(14)24(23)2)7-16-15-9-19(25-3)20(26-4)10-17(15)22-12-21-16/h5-6,8-10,12H,7,11H2,1-4H3
InChIKeyJCHLODVHJRPBCM-UHFFFAOYSA-N
XLogP3.03
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-4-[(3-pyridin-4-ylphenyl)methyl]quinazoline
CID 176664908
6,7-dimethoxy-4-propylquinazoline
CID 4077807
4-[3-[(7-methoxy-6-methylquinazolin-4-yl)methyl]phenyl]butanal
CID 134299436
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
6,7-dimethoxy-4-methylquinazoline
CID 4319422
1-(6,7-dimethoxyquinazolin-4-yl)-2,3-dihydroindol-6-amine
CID 54313644
4-ethyl-7-methoxy-6-(oxiran-2-ylmethoxy)quinazoline
CID 12799657
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
4-(5-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline
CID 18932856
2-(6,7-dimethoxyquinazolin-4-yl)-3,4-dihydro-1H-isoquinolin-7-amine;ethane
CID 143095921
4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
CID 135290952

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline?
The IUPAC name of 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline (CID 176664922) is 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline.
What is the SMILES notation for 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline?
The canonical SMILES for 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline is COc1cc2ncnc(Cc3ccc4c(c3)N(C)N(C)C4)c2cc1OC.
What is the InChIKey of 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline?
The InChIKey is JCHLODVHJRPBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-11-14-6-5-13(8-18(14)24(23)2)7-16-15-9-19(25-3)20(26-4)10-17(15)22-12-21-16/h5-6,8-10,12H,7,11H2,1-4H3.
What are the key properties of 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline?
4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline has a molecular weight of 350.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2-dimethyl-3H-indazol-6-yl)methyl]-6,7-dimethoxyquinazoline is sourced from PubChem (CID 176664922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).