4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline

C18H16BrN3 — CID 71542984

IUPAC4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline
SMILESCc1nc(N2CCCc3cc(Br)ccc32)c2ccccc2n1
InChIInChI=1S/C18H16BrN3/c1-12-20-16-7-3-2-6-15(16)18(21-12)22-10-4-5-13-11-14(19)8-9-17(13)22/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyRVPMYQYGLYPHQM-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.79
Rot. Bonds1

About 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline

4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline (PubChem CID 71542984) has the molecular formula C18H16BrN3 and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline.

Molecular Properties

Compound Name4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline
PubChem CID71542984
Molecular FormulaC18H16BrN3
Molecular Weight354.25 g/mol
Exact Mass353.05
IUPAC Name4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline
SMILESCc1nc(N2CCCc3cc(Br)ccc32)c2ccccc2n1
InChIInChI=1S/C18H16BrN3/c1-12-20-16-7-3-2-6-15(16)18(21-12)22-10-4-5-13-11-14(19)8-9-17(13)22/h2-3,6-9,11H,4-5,10H2,1H3
InChIKeyRVPMYQYGLYPHQM-UHFFFAOYSA-N
XLogP4.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline?
The IUPAC name of 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline (CID 71542984) is 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline.
What is the SMILES notation for 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline?
The canonical SMILES for 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline is Cc1nc(N2CCCc3cc(Br)ccc32)c2ccccc2n1.
What is the InChIKey of 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline?
The InChIKey is RVPMYQYGLYPHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3/c1-12-20-16-7-3-2-6-15(16)18(21-12)22-10-4-5-13-11-14(19)8-9-17(13)22/h2-3,6-9,11H,4-5,10H2,1H3.
What are the key properties of 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline?
4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline has a molecular weight of 354.25 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline is sourced from PubChem (CID 71542984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).