1H-indene;quinazoline

C17H14N2 — CID 159761989

IUPAC1H-indene;quinazoline
SMILESC1=Cc2ccccc2C1.c1ccc2ncncc2c1
InChIInChI=1S/C9H8.C8H6N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8/h1-6H,7H2;1-6H
InChIKeyNEZWPQVLMLAKHO-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.89
Rot. Bonds

About 1H-indene;quinazoline

1H-indene;quinazoline (PubChem CID 159761989) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1H-indene;quinazoline.

Molecular Properties

Compound Name1H-indene;quinazoline
PubChem CID159761989
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name1H-indene;quinazoline
SMILESC1=Cc2ccccc2C1.c1ccc2ncncc2c1
InChIInChI=1S/C9H8.C8H6N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8/h1-6H,7H2;1-6H
InChIKeyNEZWPQVLMLAKHO-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indene;quinazoline?
The IUPAC name of 1H-indene;quinazoline (CID 159761989) is 1H-indene;quinazoline.
What is the SMILES notation for 1H-indene;quinazoline?
The canonical SMILES for 1H-indene;quinazoline is C1=Cc2ccccc2C1.c1ccc2ncncc2c1.
What is the InChIKey of 1H-indene;quinazoline?
The InChIKey is NEZWPQVLMLAKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C8H6N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8/h1-6H,7H2;1-6H.
What are the key properties of 1H-indene;quinazoline?
1H-indene;quinazoline has a molecular weight of 246.31 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene;quinazoline is sourced from PubChem (CID 159761989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).