2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline

C22H19N3 — CID 70937351

IUPAC2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline
SMILESc1ccc(C2=NC(C3Cc4ccccc4N3)Nc3ccccc32)cc1
InChIInChI=1S/C22H19N3/c1-2-8-15(9-3-1)21-17-11-5-7-13-19(17)24-22(25-21)20-14-16-10-4-6-12-18(16)23-20/h1-13,20,22-24H,14H2
InChIKeyOEHBSUPKRIMPAW-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.31
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline

2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline (PubChem CID 70937351) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline
PubChem CID70937351
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline
SMILESc1ccc(C2=NC(C3Cc4ccccc4N3)Nc3ccccc32)cc1
InChIInChI=1S/C22H19N3/c1-2-8-15(9-3-1)21-17-11-5-7-13-19(17)24-22(25-21)20-14-16-10-4-6-12-18(16)23-20/h1-13,20,22-24H,14H2
InChIKeyOEHBSUPKRIMPAW-UHFFFAOYSA-N
XLogP4.31
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline (CID 70937351) is 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline is c1ccc(C2=NC(C3Cc4ccccc4N3)Nc3ccccc32)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline?
The InChIKey is OEHBSUPKRIMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-2-8-15(9-3-1)21-17-11-5-7-13-19(17)24-22(25-21)20-14-16-10-4-6-12-18(16)23-20/h1-13,20,22-24H,14H2.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline?
2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline has a molecular weight of 325.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-yl)-4-phenyl-1,2-dihydroquinazoline is sourced from PubChem (CID 70937351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).