N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

C24H22N4O2S — CID 142432976

IUPACN-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3ccc(-c4cccc5[nH]ccc45)s3)c2cc1OC
InChIInChI=1S/C24H22N4O2S/c1-14-27-20-12-22(30-3)21(29-2)11-18(20)24(28-14)26-13-15-7-8-23(31-15)17-5-4-6-19-16(17)9-10-25-19/h4-12,25H,13H2,1-3H3,(H,26,27,28)
InChIKeyPFNUFNJBLGEUIX-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.78
Rot. Bonds6

About N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 142432976) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID142432976
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3ccc(-c4cccc5[nH]ccc45)s3)c2cc1OC
InChIInChI=1S/C24H22N4O2S/c1-14-27-20-12-22(30-3)21(29-2)11-18(20)24(28-14)26-13-15-7-8-23(31-15)17-5-4-6-19-16(17)9-10-25-19/h4-12,25H,13H2,1-3H3,(H,26,27,28)
InChIKeyPFNUFNJBLGEUIX-UHFFFAOYSA-N
XLogP5.78
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine with MolForge

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Related Compounds

N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142433050
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432797
N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432914
3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane
CID 142432961
[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
CID 146197308
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142433057
6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336409
6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
CID 142432906
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
CID 164824073
6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]-N,N-dimethylacetamide
CID 142432734

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 142432976) is N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc2nc(C)nc(NCc3ccc(-c4cccc5[nH]ccc45)s3)c2cc1OC.
What is the InChIKey of N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is PFNUFNJBLGEUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-14-27-20-12-22(30-3)21(29-2)11-18(20)24(28-14)26-13-15-7-8-23(31-15)17-5-4-6-19-16(17)9-10-25-19/h4-12,25H,13H2,1-3H3,(H,26,27,28).
What are the key properties of N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 430.53 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 142432976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).