2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one

C23H29N3O — CID 168551234

IUPAC2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one
SMILESCCCCN(CCCC)Cc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C23H29N3O/c1-3-5-14-26(15-6-4-2)17-18-10-9-11-19(16-18)22-24-21-13-8-7-12-20(21)23(27)25-22/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,24,25,27)
InChIKeyOFWLXBFNKXROOP-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.99
Rot. Bonds9

About 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one

2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one (PubChem CID 168551234) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one
PubChem CID168551234
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one
SMILESCCCCN(CCCC)Cc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C23H29N3O/c1-3-5-14-26(15-6-4-2)17-18-10-9-11-19(16-18)22-24-21-13-8-7-12-20(21)23(27)25-22/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,24,25,27)
InChIKeyOFWLXBFNKXROOP-UHFFFAOYSA-N
XLogP4.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(pyrazol-1-ylmethyl)phenyl]-3H-quinazolin-4-one
CID 168550950
2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
CID 168551369
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-(3-butoxy-4-fluorophenyl)-3H-quinazolin-4-one
CID 168551083
2-(4-methyl-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551335
2-(4-fluoro-3-pentoxyphenyl)-3H-quinazolin-4-one
CID 168551050
2-(3-pyrimidin-2-ylphenyl)-3H-quinazolin-4-one
CID 168553073
2-(3-thiophen-2-ylphenyl)-3H-quinazolin-4-one
CID 168551596
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135756515
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
2-[3-(2-methylpropylsulfanyl)phenyl]-3H-quinazolin-4-one
CID 168551121

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one (CID 168551234) is 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one is CCCCN(CCCC)Cc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one?
The InChIKey is OFWLXBFNKXROOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-5-14-26(15-6-4-2)17-18-10-9-11-19(16-18)22-24-21-13-8-7-12-20(21)23(27)25-22/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,24,25,27).
What are the key properties of 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one?
2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one has a molecular weight of 363.51 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dibutylamino)methyl]phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).