2-[2-(1H-indol-3-yl)phenyl]quinazoline

C22H15N3 — CID 141386701

IUPAC2-[2-(1H-indol-3-yl)phenyl]quinazoline
SMILESc1ccc(-c2c[nH]c3ccccc23)c(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C22H15N3/c1-5-11-20-15(7-1)13-24-22(25-20)18-10-3-2-8-16(18)19-14-23-21-12-6-4-9-17(19)21/h1-14,23H
InChIKeyYZOOLTZFGUTBPI-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.45
Rot. Bonds2

About 2-[2-(1H-indol-3-yl)phenyl]quinazoline

2-[2-(1H-indol-3-yl)phenyl]quinazoline (PubChem CID 141386701) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)phenyl]quinazoline.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)phenyl]quinazoline
PubChem CID141386701
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name2-[2-(1H-indol-3-yl)phenyl]quinazoline
SMILESc1ccc(-c2c[nH]c3ccccc23)c(-c2ncc3ccccc3n2)c1
InChIInChI=1S/C22H15N3/c1-5-11-20-15(7-1)13-24-22(25-20)18-10-3-2-8-16(18)19-14-23-21-12-6-4-9-17(19)21/h1-14,23H
InChIKeyYZOOLTZFGUTBPI-UHFFFAOYSA-N
XLogP5.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indazol-4-yl)quinazoline
CID 91393961
2-(1H-indazol-3-yl)quinazoline
CID 154276744
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 144941135
2-quinoxalin-5-ylquinazoline
CID 91555305
2-(1H-indol-2-yl)quinazoline
CID 68890263
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
2-[2-(trifluoromethyl)phenyl]quinazoline
CID 67571901
2-(1H-indol-3-yl)aniline
CID 25210227
2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine
CID 175863340
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
2-phenylquinazoline
CID 158733567

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)phenyl]quinazoline?
The IUPAC name of 2-[2-(1H-indol-3-yl)phenyl]quinazoline (CID 141386701) is 2-[2-(1H-indol-3-yl)phenyl]quinazoline.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)phenyl]quinazoline?
The canonical SMILES for 2-[2-(1H-indol-3-yl)phenyl]quinazoline is c1ccc(-c2c[nH]c3ccccc23)c(-c2ncc3ccccc3n2)c1.
What is the InChIKey of 2-[2-(1H-indol-3-yl)phenyl]quinazoline?
The InChIKey is YZOOLTZFGUTBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-5-11-20-15(7-1)13-24-22(25-20)18-10-3-2-8-16(18)19-14-23-21-12-6-4-9-17(19)21/h1-14,23H.
What are the key properties of 2-[2-(1H-indol-3-yl)phenyl]quinazoline?
2-[2-(1H-indol-3-yl)phenyl]quinazoline has a molecular weight of 321.38 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)phenyl]quinazoline is sourced from PubChem (CID 141386701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).