4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline

C17H12Cl2N2 — CID 114589771

IUPAC4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline
SMILESClc1nc(-c2ccc3c(c2)CCC3)nc2c(Cl)cccc12
InChIInChI=1S/C17H12Cl2N2/c18-14-6-2-5-13-15(14)20-17(21-16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2
InChIKeySNDDFOYNABQZCC-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.09
Rot. Bonds1

About 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline

4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline (PubChem CID 114589771) has the molecular formula C17H12Cl2N2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline.

Molecular Properties

Compound Name4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline
PubChem CID114589771
Molecular FormulaC17H12Cl2N2
Molecular Weight315.20 g/mol
Exact Mass314.04
IUPAC Name4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline
SMILESClc1nc(-c2ccc3c(c2)CCC3)nc2c(Cl)cccc12
InChIInChI=1S/C17H12Cl2N2/c18-14-6-2-5-13-15(14)20-17(21-16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2
InChIKeySNDDFOYNABQZCC-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline?
The IUPAC name of 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline (CID 114589771) is 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline.
What is the SMILES notation for 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline?
The canonical SMILES for 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline is Clc1nc(-c2ccc3c(c2)CCC3)nc2c(Cl)cccc12.
What is the InChIKey of 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline?
The InChIKey is SNDDFOYNABQZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2/c18-14-6-2-5-13-15(14)20-17(21-16(13)19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4H2.
What are the key properties of 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline?
4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline has a molecular weight of 315.20 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-2-(2,3-dihydro-1H-inden-5-yl)quinazoline is sourced from PubChem (CID 114589771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).