6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline

C28H20N2O — CID 71594670

IUPAC6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline
SMILESCc1ccc(Oc2ccc(-c3nc4ccccc4c4cc5ccccc5n34)cc2)cc1
InChIInChI=1S/C28H20N2O/c1-19-10-14-22(15-11-19)31-23-16-12-20(13-17-23)28-29-25-8-4-3-7-24(25)27-18-21-6-2-5-9-26(21)30(27)28/h2-18H,1H3
InChIKeyVGNJWXICPUWMEY-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.41
Rot. Bonds3

About 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline

6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline (PubChem CID 71594670) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline
PubChem CID71594670
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline
SMILESCc1ccc(Oc2ccc(-c3nc4ccccc4c4cc5ccccc5n34)cc2)cc1
InChIInChI=1S/C28H20N2O/c1-19-10-14-22(15-11-19)31-23-16-12-20(13-17-23)28-29-25-8-4-3-7-24(25)27-18-21-6-2-5-9-26(21)30(27)28/h2-18H,1H3
InChIKeyVGNJWXICPUWMEY-UHFFFAOYSA-N
XLogP7.41
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Verubulin
CID 11414799
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
7-[2-(4-Methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 76336478
9-ethoxy-6-methyl-6H-indolo[2,3-b]quinoxaline
CID 696933
4-(Piperidin-1-yl)-2-(4-propoxyphenyl)quinazoline
CID 1590578
6-[(4-Ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline
CID 4318329
2-Methyl-4-phenoxyquinazoline
CID 826266
5-Butyl-2-(4-ethoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 10269139
4-Quinazolinamine, 2-ethyl-N-(4-methoxyphenyl)-N-methyl-
CID 11162180
4-Quinazolinamine, N-(4-ethoxyphenyl)-N,2-dimethyl-
CID 11254861
(2-Chloro-quinazolin-4-yl)-(4-methoxy-benzyl)-methyl-amine
CID 11324470
5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863152

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline?
The IUPAC name of 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline (CID 71594670) is 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline?
The canonical SMILES for 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline is Cc1ccc(Oc2ccc(-c3nc4ccccc4c4cc5ccccc5n34)cc2)cc1.
What is the InChIKey of 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline?
The InChIKey is VGNJWXICPUWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c1-19-10-14-22(15-11-19)31-23-16-12-20(13-17-23)28-29-25-8-4-3-7-24(25)27-18-21-6-2-5-9-26(21)30(27)28/h2-18H,1H3.
What are the key properties of 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline?
6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline has a molecular weight of 400.48 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylphenoxy)phenyl]indolo[1,2-c]quinazoline is sourced from PubChem (CID 71594670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).