N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

C23H22FN3O3S — CID 142432914

IUPACN-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc(F)cc(-c2ccc(CNc3nc(C)nc4cc(OC)c(OC)cc34)s2)c1
InChIInChI=1S/C23H22FN3O3S/c1-13-26-19-11-21(30-4)20(29-3)10-18(19)23(27-13)25-12-17-5-6-22(31-17)14-7-15(24)9-16(8-14)28-2/h5-11H,12H2,1-4H3,(H,25,26,27)
InChIKeyLNZPQBKXBWHOOE-UHFFFAOYSA-N
MW439.51 g/mol
LogP5.44
Rot. Bonds7

About N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 142432914) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID142432914
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC NameN-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc(F)cc(-c2ccc(CNc3nc(C)nc4cc(OC)c(OC)cc34)s2)c1
InChIInChI=1S/C23H22FN3O3S/c1-13-26-19-11-21(30-4)20(29-3)10-18(19)23(27-13)25-12-17-5-6-22(31-17)14-7-15(24)9-16(8-14)28-2/h5-11H,12H2,1-4H3,(H,25,26,27)
InChIKeyLNZPQBKXBWHOOE-UHFFFAOYSA-N
XLogP5.44
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine with MolForge

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Related Compounds

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-(1H-indol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432976
N-[[5-[2-(ethoxymethyl)phenyl]thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142433050
3-[5-[[(7-ethoxy-6-methoxy-2-methylquinazolin-4-yl)amino]methyl]thiophen-2-yl]benzenesulfonamide;methane
CID 142432961
6,7-dimethoxy-N-[1-[5-(3-methoxyphenyl)thiophen-2-yl]ethyl]-2-methylquinazolin-4-amine
CID 142432726
[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
6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
N-[[2,5-difluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxyquinazolin-4-amine
CID 170146224
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
CID 164824073
N-[[2,5-difluoro-3-(trifluoromethyl)phenyl]methyl]-7-methoxy-2-methyl-6-(3,3,3-trifluoro-2-methoxypropoxy)quinazolin-4-amine
CID 170146872
2-(3-fluoro-4-methoxyphenyl)-5-(3-fluoro-5-methoxyphenyl)thiophene
CID 44543106

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 142432914) is N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc(F)cc(-c2ccc(CNc3nc(C)nc4cc(OC)c(OC)cc34)s2)c1.
What is the InChIKey of N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is LNZPQBKXBWHOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c1-13-26-19-11-21(30-4)20(29-3)10-18(19)23(27-13)25-12-17-5-6-22(31-17)14-7-15(24)9-16(8-14)28-2/h5-11H,12H2,1-4H3,(H,25,26,27).
What are the key properties of N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 439.51 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 142432914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).