6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine

C24H20N4O — CID 159040871

IUPAC6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4cc[nH]c34)c2cc1C
InChIInChI=1S/C24H20N4O/c1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(18-10-11-25-23(18)20)29-17-6-4-3-5-7-17/h3-14,25H,1-2H3,(H,26,27,28)
InChIKeyZKKPSDUYTBQETD-UHFFFAOYSA-N
MW380.45 g/mol
LogP6.26
Rot. Bonds4

About 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine

6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine (PubChem CID 159040871) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine
PubChem CID159040871
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4cc[nH]c34)c2cc1C
InChIInChI=1S/C24H20N4O/c1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(18-10-11-25-23(18)20)29-17-6-4-3-5-7-17/h3-14,25H,1-2H3,(H,26,27,28)
InChIKeyZKKPSDUYTBQETD-UHFFFAOYSA-N
XLogP6.26
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethyl-N-(7-phenoxy-1H-indol-4-yl)quinazolin-4-amine
CID 159040870
N-(2-bromo-4-phenoxyphenyl)-6,7-dimethylquinazolin-4-amine;hydrochloride
CID 159999209
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
6,7-dimethyl-N-phenylquinazolin-4-amine;ethane;methane
CID 169425535
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
6,7-dimethyl-N-(3-naphthalen-1-yloxyphenyl)quinazolin-4-amine;2,2,2-trifluoroacetaldehyde
CID 158638214
6,7-dimethyl-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;dihydrate
CID 159074222
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
N-[4-(3-chlorophenoxy)-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628743
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
6-(3-aminobut-1-ynyl)-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 18616753

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine (CID 159040871) is 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine is Cc1cc2ncnc(Nc3ccc(Oc4ccccc4)c4cc[nH]c34)c2cc1C.
What is the InChIKey of 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine?
The InChIKey is ZKKPSDUYTBQETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-15-12-19-21(13-16(15)2)26-14-27-24(19)28-20-8-9-22(18-10-11-25-23(18)20)29-17-6-4-3-5-7-17/h3-14,25H,1-2H3,(H,26,27,28).
What are the key properties of 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine?
6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine has a molecular weight of 380.45 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-(4-phenoxy-1H-indol-7-yl)quinazolin-4-amine is sourced from PubChem (CID 159040871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).