6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane

C30H39N3O2S — CID 156726428

IUPAC6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane
SMILESCC.CCC(C)Cc1ccccc1-c1csc(C(C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C28H33N3O2S.C2H6/c1-7-17(2)12-20-10-8-9-11-22(20)21-13-27(34-16-21)18(3)29-28-23-14-25(32-5)26(33-6)15-24(23)30-19(4)31-28;1-2/h8-11,13-18H,7,12H2,1-6H3,(H,29,30,31);1-2H3
InChIKeyRUJJWVJHHCIOCA-UHFFFAOYSA-N
MW505.73 g/mol
LogP8.47
Rot. Bonds9

About 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane

6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane (PubChem CID 156726428) has the molecular formula C30H39N3O2S and a molecular weight of 505.73 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane
PubChem CID156726428
Molecular FormulaC30H39N3O2S
Molecular Weight505.73 g/mol
Exact Mass505.28
IUPAC Name6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane
SMILESCC.CCC(C)Cc1ccccc1-c1csc(C(C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C28H33N3O2S.C2H6/c1-7-17(2)12-20-10-8-9-11-22(20)21-13-27(34-16-21)18(3)29-28-23-14-25(32-5)26(33-6)15-24(23)30-19(4)31-28;1-2/h8-11,13-18H,7,12H2,1-6H3,(H,29,30,31);1-2H3
InChIKeyRUJJWVJHHCIOCA-UHFFFAOYSA-N
XLogP8.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.73
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,3-dimethylbutoxy)-6-methoxy-2-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 165134652
methyl 4-[6-methoxy-2-methyl-4-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethylamino]quinazolin-7-yl]oxy-2,2,3,3-tetramethylbutanoate
CID 165134783
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
CID 164824073
2-amino-3-[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]-N-phenylpropanamide
CID 154032227
1-(3-ethyl-2-methylundecyl)-4-[7-methoxy-2-methyl-4-[[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]amino]quinazolin-6-yl]-N-methylcyclohexane-1-carboxamide
CID 175325004
2-[[2-[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methylamino]-N,N-dimethylacetamide
CID 142432734
6,7-dimethoxy-2-methyl-N-[1-[5-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336862
6,7-dimethoxy-2-methyl-N-[1-[5-[2-(piperazin-1-ylmethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336448
6,7-dimethoxy-2-methyl-N-[1-[5-[2-(2H-tetrazol-5-yl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 135336409
[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]boronic acid
CID 142432868
6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine
CID 142432726
6,7-dimethoxy-2-methyl-N-[1-[5-[(E)-2-phenylethenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 142433044

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane (CID 156726428) is 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane is CC.CCC(C)Cc1ccccc1-c1csc(C(C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane?
The InChIKey is RUJJWVJHHCIOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2S.C2H6/c1-7-17(2)12-20-10-8-9-11-22(20)21-13-27(34-16-21)18(3)29-28-23-14-25(32-5)26(33-6)15-24(23)30-19(4)31-28;1-2/h8-11,13-18H,7,12H2,1-6H3,(H,29,30,31);1-2H3.
What are the key properties of 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane?
6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane has a molecular weight of 505.73 g/mol, XLogP of 8.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[1-[4-[2-(2-methylbutyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;ethane is sourced from PubChem (CID 156726428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).