6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine

C27H24N4O3 — CID 70245929

IUPAC6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine
SMILESCOc1cc(C=Cc2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3cc2OC)cc(OC)c1
InChIInChI=1S/C27H24N4O3/c1-32-21-10-17(11-22(14-21)33-2)4-5-19-13-23-25(15-26(19)34-3)29-16-30-27(23)31-20-6-7-24-18(12-20)8-9-28-24/h4-16,28H,1-3H3,(H,29,30,31)
InChIKeyNTOFZNKWLHFLCH-UHFFFAOYSA-N
MW452.51 g/mol
LogP6.05
Rot. Bonds7

About 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine

6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine (PubChem CID 70245929) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine
PubChem CID70245929
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine
SMILESCOc1cc(C=Cc2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3cc2OC)cc(OC)c1
InChIInChI=1S/C27H24N4O3/c1-32-21-10-17(11-22(14-21)33-2)4-5-19-13-23-25(15-26(19)34-3)29-16-30-27(23)31-20-6-7-24-18(12-20)8-9-28-24/h4-16,28H,1-3H3,(H,29,30,31)
InChIKeyNTOFZNKWLHFLCH-UHFFFAOYSA-N
XLogP6.05
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine with MolForge

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Related Compounds

N-(1H-indol-5-yl)-7-methoxy-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]quinazolin-4-amine
CID 70245829
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366722
(E)-3-(3,5-dimethoxyphenyl)-1-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
CID 155811238
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethoxyquinazoline;N-(1H-indol-5-yl)-6,7-dimethoxyquinazolin-4-amine
CID 161114097
N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
N-(3-bromophenyl)-7-methoxy-6-pyridin-2-ylquinazolin-4-amine;4-(1H-indol-5-ylamino)-6-pyridin-3-ylquinazolin-7-ol
CID 135793878

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine?
The IUPAC name of 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine (CID 70245929) is 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine.
What is the SMILES notation for 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine?
The canonical SMILES for 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine is COc1cc(C=Cc2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3cc2OC)cc(OC)c1.
What is the InChIKey of 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine?
The InChIKey is NTOFZNKWLHFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-32-21-10-17(11-22(14-21)33-2)4-5-19-13-23-25(15-26(19)34-3)29-16-30-27(23)31-20-6-7-24-18(12-20)8-9-28-24/h4-16,28H,1-3H3,(H,29,30,31).
What are the key properties of 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine?
6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine has a molecular weight of 452.51 g/mol, XLogP of 6.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 70245929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).