4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine

C18H17N5 — CID 23366722

IUPAC4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
SMILESCN(C)c1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1
InChIInChI=1S/C18H17N5/c1-23(2)14-4-6-17-15(10-14)18(21-11-20-17)22-13-3-5-16-12(9-13)7-8-19-16/h3-11,19H,1-2H3,(H,20,21,22)
InChIKeyZLXRYKVUERFRBW-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.92
Rot. Bonds3

About 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine

4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine (PubChem CID 23366722) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
PubChem CID23366722
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
SMILESCN(C)c1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1
InChIInChI=1S/C18H17N5/c1-23(2)14-4-6-17-15(10-14)18(21-11-20-17)22-13-3-5-16-12(9-13)7-8-19-16/h3-11,19H,1-2H3,(H,20,21,22)
InChIKeyZLXRYKVUERFRBW-UHFFFAOYSA-N
XLogP3.92
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1H-indazol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366736
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid
CID 22000120
N,N-dimethyl-1H-indol-5-amine
CID 23274
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-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide
CID 54172412
N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 59076984
4-[2-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-2-oxoethylidene]piperidine-1-carboxylic acid
CID 68981840

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine?
The IUPAC name of 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine (CID 23366722) is 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine is CN(C)c1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1.
What is the InChIKey of 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine?
The InChIKey is ZLXRYKVUERFRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-23(2)14-4-6-17-15(10-14)18(21-11-20-17)22-13-3-5-16-12(9-13)7-8-19-16/h3-11,19H,1-2H3,(H,20,21,22).
What are the key properties of 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine?
4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine has a molecular weight of 303.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine is sourced from PubChem (CID 23366722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).