N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine

C17H13IN4O — CID 15521323

IUPACN-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1I
InChIInChI=1S/C17H13IN4O/c1-23-16-8-15-12(7-13(16)18)17(21-9-20-15)22-11-2-3-14-10(6-11)4-5-19-14/h2-9,19H,1H3,(H,20,21,22)
InChIKeyUWSSPHAKLAHLDF-UHFFFAOYSA-N
MW416.22 g/mol
LogP4.47
Rot. Bonds3

About N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine

N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine (PubChem CID 15521323) has the molecular formula C17H13IN4O and a molecular weight of 416.22 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
PubChem CID15521323
Molecular FormulaC17H13IN4O
Molecular Weight416.22 g/mol
Exact Mass416.01
IUPAC NameN-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1I
InChIInChI=1S/C17H13IN4O/c1-23-16-8-15-12(7-13(16)18)17(21-9-20-15)22-11-2-3-14-10(6-11)4-5-19-14/h2-9,19H,1H3,(H,20,21,22)
InChIKeyUWSSPHAKLAHLDF-UHFFFAOYSA-N
XLogP4.47
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine
CID 70245929
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
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
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-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine
CID 56985158
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine (CID 15521323) is N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine is COc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1I.
What is the InChIKey of N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine?
The InChIKey is UWSSPHAKLAHLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN4O/c1-23-16-8-15-12(7-13(16)18)17(21-9-20-15)22-11-2-3-14-10(6-11)4-5-19-14/h2-9,19H,1H3,(H,20,21,22).
What are the key properties of N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine?
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine has a molecular weight of 416.22 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine is sourced from PubChem (CID 15521323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).