2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one

C23H24N2O2 — CID 157490611

IUPAC2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one
SMILESCCCCC1(OC)CCc2ccc(-c3ncc4ccccc4n3)cc2C1=O
InChIInChI=1S/C23H24N2O2/c1-3-4-12-23(27-2)13-11-16-9-10-17(14-19(16)21(23)26)22-24-15-18-7-5-6-8-20(18)25-22/h5-10,14-15H,3-4,11-13H2,1-2H3
InChIKeyBXFORGUKBWWPDU-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.00
Rot. Bonds5

About 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one

2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one (PubChem CID 157490611) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one
PubChem CID157490611
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one
SMILESCCCCC1(OC)CCc2ccc(-c3ncc4ccccc4n3)cc2C1=O
InChIInChI=1S/C23H24N2O2/c1-3-4-12-23(27-2)13-11-16-9-10-17(14-19(16)21(23)26)22-24-15-18-7-5-6-8-20(18)25-22/h5-10,14-15H,3-4,11-13H2,1-2H3
InChIKeyBXFORGUKBWWPDU-UHFFFAOYSA-N
XLogP5.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one (CID 157490611) is 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one is CCCCC1(OC)CCc2ccc(-c3ncc4ccccc4n3)cc2C1=O.
What is the InChIKey of 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one?
The InChIKey is BXFORGUKBWWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-3-4-12-23(27-2)13-11-16-9-10-17(14-19(16)21(23)26)22-24-15-18-7-5-6-8-20(18)25-22/h5-10,14-15H,3-4,11-13H2,1-2H3.
What are the key properties of 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one?
2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one has a molecular weight of 360.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-methoxy-7-quinazolin-2-yl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 157490611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).