2,6,8-trichloro-3-propylquinazolin-4-one

C11H9Cl3N2O — CID 170900735

IUPAC2,6,8-trichloro-3-propylquinazolin-4-one
SMILESCCCn1c(Cl)nc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C11H9Cl3N2O/c1-2-3-16-10(17)7-4-6(12)5-8(13)9(7)15-11(16)14/h4-5H,2-3H2,1H3
InChIKeyMYWJWPMIODBUQR-UHFFFAOYSA-N
MW291.56 g/mol
LogP3.77
Rot. Bonds2

About 2,6,8-trichloro-3-propylquinazolin-4-one

2,6,8-trichloro-3-propylquinazolin-4-one (PubChem CID 170900735) has the molecular formula C11H9Cl3N2O and a molecular weight of 291.56 g/mol. Its IUPAC name is 2,6,8-trichloro-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2,6,8-trichloro-3-propylquinazolin-4-one
PubChem CID170900735
Molecular FormulaC11H9Cl3N2O
Molecular Weight291.56 g/mol
Exact Mass289.98
IUPAC Name2,6,8-trichloro-3-propylquinazolin-4-one
SMILESCCCn1c(Cl)nc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C11H9Cl3N2O/c1-2-3-16-10(17)7-4-6(12)5-8(13)9(7)15-11(16)14/h4-5H,2-3H2,1H3
InChIKeyMYWJWPMIODBUQR-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,8-dichloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
CID 7174436
5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 165354598
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
CID 27912192
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
2-(6,8-dichloro-4-oxo-1,2,3-benzotriazin-3-yl)acetic acid
CID 13442358
5,7-dichloro-3-ethyl-2-methylindazole
CID 59514266
6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
1-[[2-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 21151455
5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole
CID 141221175
2-chloro-3-(2-hydroxyethyl)-8-methoxyquinazolin-4-one
CID 117264534

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trichloro-3-propylquinazolin-4-one?
The IUPAC name of 2,6,8-trichloro-3-propylquinazolin-4-one (CID 170900735) is 2,6,8-trichloro-3-propylquinazolin-4-one.
What is the SMILES notation for 2,6,8-trichloro-3-propylquinazolin-4-one?
The canonical SMILES for 2,6,8-trichloro-3-propylquinazolin-4-one is CCCn1c(Cl)nc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2,6,8-trichloro-3-propylquinazolin-4-one?
The InChIKey is MYWJWPMIODBUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O/c1-2-3-16-10(17)7-4-6(12)5-8(13)9(7)15-11(16)14/h4-5H,2-3H2,1H3.
What are the key properties of 2,6,8-trichloro-3-propylquinazolin-4-one?
2,6,8-trichloro-3-propylquinazolin-4-one has a molecular weight of 291.56 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trichloro-3-propylquinazolin-4-one is sourced from PubChem (CID 170900735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).