N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine

C18H16N4 — CID 142010031

IUPACN-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1C
InChIInChI=1S/C18H16N4/c1-11-7-15-17(8-12(11)2)20-10-21-18(15)22-14-3-4-16-13(9-14)5-6-19-16/h3-10,19H,1-2H3,(H,20,21,22)
InChIKeySIIGDOYUDWDTQA-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.47
Rot. Bonds2

About N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine

N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine (PubChem CID 142010031) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
PubChem CID142010031
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC NameN-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1C
InChIInChI=1S/C18H16N4/c1-11-7-15-17(8-12(11)2)20-10-21-18(15)22-14-3-4-16-13(9-14)5-6-19-16/h3-10,19H,1-2H3,(H,20,21,22)
InChIKeySIIGDOYUDWDTQA-UHFFFAOYSA-N
XLogP4.47
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-iodo-7-methoxyquinazolin-4-amine
CID 15521323
4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366722
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
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-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 59076984
N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide
CID 54172412
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
4-[(6,7-dimethylquinazolin-4-yl)amino]-2-iodophenol
CID 18685568

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine (CID 142010031) is N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine is Cc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2cc1C.
What is the InChIKey of N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine?
The InChIKey is SIIGDOYUDWDTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-11-7-15-17(8-12(11)2)20-10-21-18(15)22-14-3-4-16-13(9-14)5-6-19-16/h3-10,19H,1-2H3,(H,20,21,22).
What are the key properties of N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine?
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine is sourced from PubChem (CID 142010031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).