3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one

C34H39N5O3 — CID 130251264

IUPAC3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one
SMILESCC(C)C1CCC(=O)c2ccc(C3CC(=O)c4cc(C5CC(C(C)C)c6ncncc6C5=O)nnc4C3C(C)C)nc21
InChIInChI=1S/C34H39N5O3/c1-16(2)19-8-10-28(40)20-7-9-26(37-32(19)20)22-13-29(41)24-12-27(38-39-33(24)30(22)18(5)6)23-11-21(17(3)4)31-25(34(23)42)14-35-15-36-31/h7,9,12,14-19,21-23,30H,8,10-11,13H2,1-6H3
InChIKeyZHSQWHKAJQXRCI-UHFFFAOYSA-N
MW565.72 g/mol
LogP6.60
Rot. Bonds5

About 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one

3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one (PubChem CID 130251264) has the molecular formula C34H39N5O3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one.

Molecular Properties

Compound Name3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one
PubChem CID130251264
Molecular FormulaC34H39N5O3
Molecular Weight565.72 g/mol
Exact Mass565.31
IUPAC Name3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one
SMILESCC(C)C1CCC(=O)c2ccc(C3CC(=O)c4cc(C5CC(C(C)C)c6ncncc6C5=O)nnc4C3C(C)C)nc21
InChIInChI=1S/C34H39N5O3/c1-16(2)19-8-10-28(40)20-7-9-26(37-32(19)20)22-13-29(41)24-12-27(38-39-33(24)30(22)18(5)6)23-11-21(17(3)4)31-25(34(23)42)14-35-15-36-31/h7,9,12,14-19,21-23,30H,8,10-11,13H2,1-6H3
InChIKeyZHSQWHKAJQXRCI-UHFFFAOYSA-N
XLogP6.60
TPSA115.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one?
The IUPAC name of 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one (CID 130251264) is 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one.
What is the SMILES notation for 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one?
The canonical SMILES for 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one is CC(C)C1CCC(=O)c2ccc(C3CC(=O)c4cc(C5CC(C(C)C)c6ncncc6C5=O)nnc4C3C(C)C)nc21.
What is the InChIKey of 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one?
The InChIKey is ZHSQWHKAJQXRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O3/c1-16(2)19-8-10-28(40)20-7-9-26(37-32(19)20)22-13-29(41)24-12-27(38-39-33(24)30(22)18(5)6)23-11-21(17(3)4)31-25(34(23)42)14-35-15-36-31/h7,9,12,14-19,21-23,30H,8,10-11,13H2,1-6H3.
What are the key properties of 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one?
3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one has a molecular weight of 565.72 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinazolin-6-yl)-7-(5-oxo-8-propan-2-yl-7,8-dihydro-6H-quinolin-2-yl)-8-propan-2-yl-7,8-dihydro-6H-cinnolin-5-one is sourced from PubChem (CID 130251264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).