4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline

C30H23N3 — CID 164621450

IUPAC4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline
SMILESCCn1c(-c2ccccc2)c(-c2nc(-c3ccccc3)nc3ccccc23)c2ccccc21
InChIInChI=1S/C30H23N3/c1-2-33-26-20-12-10-18-24(26)27(29(33)21-13-5-3-6-14-21)28-23-17-9-11-19-25(23)31-30(32-28)22-15-7-4-8-16-22/h3-20H,2H2,1H3
InChIKeyOKCLNJCVEQYCRX-UHFFFAOYSA-N
MW425.54 g/mol
LogP7.61
Rot. Bonds4

About 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline

4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline (PubChem CID 164621450) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline
PubChem CID164621450
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline
SMILESCCn1c(-c2ccccc2)c(-c2nc(-c3ccccc3)nc3ccccc23)c2ccccc21
InChIInChI=1S/C30H23N3/c1-2-33-26-20-12-10-18-24(26)27(29(33)21-13-5-3-6-14-21)28-23-17-9-11-19-25(23)31-30(32-28)22-15-7-4-8-16-22/h3-20H,2H2,1H3
InChIKeyOKCLNJCVEQYCRX-UHFFFAOYSA-N
XLogP7.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline?
The IUPAC name of 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline (CID 164621450) is 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline.
What is the SMILES notation for 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline?
The canonical SMILES for 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline is CCn1c(-c2ccccc2)c(-c2nc(-c3ccccc3)nc3ccccc23)c2ccccc21.
What is the InChIKey of 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline?
The InChIKey is OKCLNJCVEQYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3/c1-2-33-26-20-12-10-18-24(26)27(29(33)21-13-5-3-6-14-21)28-23-17-9-11-19-25(23)31-30(32-28)22-15-7-4-8-16-22/h3-20H,2H2,1H3.
What are the key properties of 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline?
4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline has a molecular weight of 425.54 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-2-phenylindol-3-yl)-2-phenylquinazoline is sourced from PubChem (CID 164621450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).