6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine

C20H18N4O2 — CID 74250631

IUPAC6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3cccc4nc(C)ccc34)nc(N)c2cc1OC
InChIInChI=1S/C20H18N4O2/c1-11-7-8-12-13(5-4-6-15(12)22-11)20-23-16-10-18(26-3)17(25-2)9-14(16)19(21)24-20/h4-10H,1-3H3,(H2,21,23,24)
InChIKeyQBHPHXXNWKVKBY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.75
Rot. Bonds3

About 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine

6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine (PubChem CID 74250631) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine
PubChem CID74250631
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3cccc4nc(C)ccc34)nc(N)c2cc1OC
InChIInChI=1S/C20H18N4O2/c1-11-7-8-12-13(5-4-6-15(12)22-11)20-23-16-10-18(26-3)17(25-2)9-14(16)19(21)24-20/h4-10H,1-3H3,(H2,21,23,24)
InChIKeyQBHPHXXNWKVKBY-UHFFFAOYSA-N
XLogP3.75
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine (CID 74250631) is 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine is COc1cc2nc(-c3cccc4nc(C)ccc34)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine?
The InChIKey is QBHPHXXNWKVKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-11-7-8-12-13(5-4-6-15(12)22-11)20-23-16-10-18(26-3)17(25-2)9-14(16)19(21)24-20/h4-10H,1-3H3,(H2,21,23,24).
What are the key properties of 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine?
6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine has a molecular weight of 346.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(2-methylquinolin-5-yl)quinazolin-4-amine is sourced from PubChem (CID 74250631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).