N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

C21H22N4O3S — CID 142432797

IUPACN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3ccc(-c4c(C)noc4C)s3)c2cc1OC
InChIInChI=1S/C21H22N4O3S/c1-11-20(12(2)28-25-11)19-7-6-14(29-19)10-22-21-15-8-17(26-4)18(27-5)9-16(15)23-13(3)24-21/h6-9H,10H2,1-5H3,(H,22,23,24)
InChIKeyNHNBZZIJQIDSKB-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.90
Rot. Bonds6

About N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine

N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (PubChem CID 142432797) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
PubChem CID142432797
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCc3ccc(-c4c(C)noc4C)s3)c2cc1OC
InChIInChI=1S/C21H22N4O3S/c1-11-20(12(2)28-25-11)19-7-6-14(29-19)10-22-21-15-8-17(26-4)18(27-5)9-16(15)23-13(3)24-21/h6-9H,10H2,1-5H3,(H,22,23,24)
InChIKeyNHNBZZIJQIDSKB-UHFFFAOYSA-N
XLogP4.90
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine with MolForge

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Related Compounds

N-[[5-(3-fluoro-5-methoxyphenyl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142432914
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
N-[[3-[(E)-2-cyclopropylethenyl]phenyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 142433057
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
5-[[[7-methoxy-2-methyl-6-(oxolan-3-yloxy)quinazolin-4-yl]amino]methyl]-4-methyl-1,3-thiazol-2-amine
CID 167227826
[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-propan-2-ylquinazolin-4-amine
CID 177115997
6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
CID 142432906
N-[[4-amino-6-(trifluoromethyl)-2-pyridinyl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 170146414

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The IUPAC name of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine (CID 142432797) is N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The canonical SMILES for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is COc1cc2nc(C)nc(NCc3ccc(-c4c(C)noc4C)s3)c2cc1OC.
What is the InChIKey of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
The InChIKey is NHNBZZIJQIDSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-11-20(12(2)28-25-11)19-7-6-14(29-19)10-22-21-15-8-17(26-4)18(27-5)9-16(15)23-13(3)24-21/h6-9H,10H2,1-5H3,(H,22,23,24).
What are the key properties of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine?
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine has a molecular weight of 410.50 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophen-2-yl]methyl]-6,7-dimethoxy-2-methylquinazolin-4-amine is sourced from PubChem (CID 142432797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).