N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine

C23H23N7O2S — CID 22030930

IUPACN-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCCSc1nncn1C
InChIInChI=1S/C23H23N7O2S/c1-30-14-27-29-23(30)33-9-3-8-32-21-12-19-17(11-20(21)31-2)22(26-13-25-19)28-16-5-4-15-6-7-24-18(15)10-16/h4-7,10-14,24H,3,8-9H2,1-2H3,(H,25,26,28)
InChIKeyNNJVTKXDUITXLT-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.55
Rot. Bonds9

About N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine

N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine (PubChem CID 22030930) has the molecular formula C23H23N7O2S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine
PubChem CID22030930
Molecular FormulaC23H23N7O2S
Molecular Weight461.55 g/mol
Exact Mass461.16
IUPAC NameN-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCCSc1nncn1C
InChIInChI=1S/C23H23N7O2S/c1-30-14-27-29-23(30)33-9-3-8-32-21-12-19-17(11-20(21)31-2)22(26-13-25-19)28-16-5-4-15-6-7-24-18(15)10-16/h4-7,10-14,24H,3,8-9H2,1-2H3,(H,25,26,28)
InChIKeyNNJVTKXDUITXLT-UHFFFAOYSA-N
XLogP4.55
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
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-[3-[4-(1H-indol-6-ylamino)-6-methoxyquinazolin-7-yl]oxypropyl]thiomorpholine-2,3-dione
CID 70206297
N-(1H-indol-6-yl)-6-methoxy-7-[2-[(2-methyl-4-pyridinyl)amino]ethoxy]quinazolin-4-amine
CID 56985158
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
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
N-(1H-indazol-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 16876701
6-[3-(1,3-benzothiazol-2-ylsulfanyl)propoxy]-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 42644683
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 19077516
N-(3-chloro-4-phosphanylphenyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 129263058

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine?
The IUPAC name of N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine (CID 22030930) is N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine.
What is the SMILES notation for N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine?
The canonical SMILES for N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCCSc1nncn1C.
What is the InChIKey of N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine?
The InChIKey is NNJVTKXDUITXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2S/c1-30-14-27-29-23(30)33-9-3-8-32-21-12-19-17(11-20(21)31-2)22(26-13-25-19)28-16-5-4-15-6-7-24-18(15)10-16/h4-7,10-14,24H,3,8-9H2,1-2H3,(H,25,26,28).
What are the key properties of N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine?
N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine has a molecular weight of 461.55 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-6-methoxy-7-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]quinazolin-4-amine is sourced from PubChem (CID 22030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).