3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one

C28H26N4O2 — CID 12631795

IUPAC3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1-c1ccc(-n2c(CCC)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H26N4O2/c1-3-9-25-29-23-13-7-5-11-21(23)27(33)31(25)19-15-17-20(18-16-19)32-26(10-4-2)30-24-14-8-6-12-22(24)28(32)34/h5-8,11-18H,3-4,9-10H2,1-2H3
InChIKeyNRVUTTBFGOFORL-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.99
Rot. Bonds6

About 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one

3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one (PubChem CID 12631795) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
PubChem CID12631795
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
SMILESCCCc1nc2ccccc2c(=O)n1-c1ccc(-n2c(CCC)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H26N4O2/c1-3-9-25-29-23-13-7-5-11-21(23)27(33)31(25)19-15-17-20(18-16-19)32-26(10-4-2)30-24-14-8-6-12-22(24)28(32)34/h5-8,11-18H,3-4,9-10H2,1-2H3
InChIKeyNRVUTTBFGOFORL-UHFFFAOYSA-N
XLogP4.99
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methylazanium chloride
CID 23004805
2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
CID 24989132
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267
6-nitro-3-phenyl-2-propylquinazolin-4-one
CID 154639059
3-phenyl-2-propylthieno[3,2-d]pyrimidin-4-one
CID 144812168
2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 122540146
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one?
The IUPAC name of 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one (CID 12631795) is 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one.
What is the SMILES notation for 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one?
The canonical SMILES for 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one is CCCc1nc2ccccc2c(=O)n1-c1ccc(-n2c(CCC)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one?
The InChIKey is NRVUTTBFGOFORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-3-9-25-29-23-13-7-5-11-21(23)27(33)31(25)19-15-17-20(18-16-19)32-26(10-4-2)30-24-14-8-6-12-22(24)28(32)34/h5-8,11-18H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one?
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one has a molecular weight of 450.54 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one is sourced from PubChem (CID 12631795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).