N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride

C24H21ClN4O2 — CID 22030547

IUPACN-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCc1ccccc1.Cl
InChIInChI=1S/C24H20N4O2.ClH/c1-29-22-12-19-21(13-23(22)30-14-16-5-3-2-4-6-16)26-15-27-24(19)28-18-7-8-20-17(11-18)9-10-25-20;/h2-13,15,25H,14H2,1H3,(H,26,27,28);1H
InChIKeyBBRDWXSFHWYUSH-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.86
Rot. Bonds6

About N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride

N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride (PubChem CID 22030547) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
PubChem CID22030547
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCc1ccccc1.Cl
InChIInChI=1S/C24H20N4O2.ClH/c1-29-22-12-19-21(13-23(22)30-14-16-5-3-2-4-6-16)26-15-27-24(19)28-18-7-8-20-17(11-18)9-10-25-20;/h2-13,15,25H,14H2,1H3,(H,26,27,28);1H
InChIKeyBBRDWXSFHWYUSH-UHFFFAOYSA-N
XLogP5.86
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
N-(1H-indol-5-yl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 22030671
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine
CID 70245929
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
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-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride (CID 22030547) is N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride is COc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCc1ccccc1.Cl.
What is the InChIKey of N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is BBRDWXSFHWYUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2.ClH/c1-29-22-12-19-21(13-23(22)30-14-16-5-3-2-4-6-16)26-15-27-24(19)28-18-7-8-20-17(11-18)9-10-25-20;/h2-13,15,25H,14H2,1H3,(H,26,27,28);1H.
What are the key properties of N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride?
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 432.91 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 22030547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).