6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one

C19H14Cl2N2O2 — CID 7875352

IUPAC6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H14Cl2N2O2/c20-14-7-15-18(16(21)8-14)22-10-23(19(15)25)9-17(24)13-5-4-11-2-1-3-12(11)6-13/h4-8,10H,1-3,9H2
InChIKeyYCDNPPBSDQPOSJ-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.07
Rot. Bonds3

About 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one

6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one (PubChem CID 7875352) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one
PubChem CID7875352
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H14Cl2N2O2/c20-14-7-15-18(16(21)8-14)22-10-23(19(15)25)9-17(24)13-5-4-11-2-1-3-12(11)6-13/h4-8,10H,1-3,9H2
InChIKeyYCDNPPBSDQPOSJ-UHFFFAOYSA-N
XLogP4.07
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one (CID 7875352) is 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is YCDNPPBSDQPOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c20-14-7-15-18(16(21)8-14)22-10-23(19(15)25)9-17(24)13-5-4-11-2-1-3-12(11)6-13/h4-8,10H,1-3,9H2.
What are the key properties of 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one?
6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 373.24 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7875352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).