6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine

C20H23N3O2 — CID 146197360

IUPAC6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCCc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C20H23N3O2/c1-13-5-7-15(8-6-13)9-10-21-20-16-11-18(24-3)19(25-4)12-17(16)22-14(2)23-20/h5-8,11-12H,9-10H2,1-4H3,(H,21,22,23)
InChIKeyXIBMRDYKBGKNAV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.92
Rot. Bonds6

About 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine

6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine (PubChem CID 146197360) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
PubChem CID146197360
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
SMILESCOc1cc2nc(C)nc(NCCc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C20H23N3O2/c1-13-5-7-15(8-6-13)9-10-21-20-16-11-18(24-3)19(25-4)12-17(16)22-14(2)23-20/h5-8,11-12H,9-10H2,1-4H3,(H,21,22,23)
InChIKeyXIBMRDYKBGKNAV-UHFFFAOYSA-N
XLogP3.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-2-methyl-N-[2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl]quinazolin-4-amine
CID 146197263
[4-[2-[(6-methoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]methanol
CID 133434949
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
6,7-dimethoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 170146944
6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 117088064
6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
CID 117093892
6,7-dimethoxy-2-methyl-N-[(1S)-1-[5-[4-(2-methylsulfonylethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
CID 167649576
[4-[3-[[7-(hydroxymethyl)-6-methoxy-2-methylquinazolin-4-yl]amino]propyl]-7-methoxy-2-methylquinazolin-6-yl]methanol
CID 147458828
N-(6,7-dimethoxy-2-methylquinazolin-4-yl)acetamide
CID 144858973
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
6,7-dimethoxy-N-[[3-(2-methoxypyrimidin-5-yl)phenyl]methyl]-2-methylquinazolin-4-amine;ethane
CID 142432906
6,7-dimethoxy-4-[2-[4-(sulfamoylamino)phenyl]ethylamino]quinazoline
CID 151000530

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine (CID 146197360) is 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine is COc1cc2nc(C)nc(NCCc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is XIBMRDYKBGKNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-5-7-15(8-6-13)9-10-21-20-16-11-18(24-3)19(25-4)12-17(16)22-14(2)23-20/h5-8,11-12H,9-10H2,1-4H3,(H,21,22,23).
What are the key properties of 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine?
6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 337.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 146197360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).