6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine

C23H26N6O3 — CID 117093892

IUPAC6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
SMILESCOc1ccc(CCNc2nc(Nc3ccnn3C)nc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C23H26N6O3/c1-29-21(10-12-25-29)27-23-26-18-14-20(32-4)19(31-3)13-17(18)22(28-23)24-11-9-15-5-7-16(30-2)8-6-15/h5-8,10,12-14H,9,11H2,1-4H3,(H2,24,26,27,28)
InChIKeyIZZHMAXSCSYSJJ-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.79
Rot. Bonds9

About 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine

6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine (PubChem CID 117093892) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
PubChem CID117093892
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
SMILESCOc1ccc(CCNc2nc(Nc3ccnn3C)nc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C23H26N6O3/c1-29-21(10-12-25-29)27-23-26-18-14-20(32-4)19(31-3)13-17(18)22(28-23)24-11-9-15-5-7-16(30-2)8-6-15/h5-8,10,12-14H,9,11H2,1-4H3,(H2,24,26,27,28)
InChIKeyIZZHMAXSCSYSJJ-UHFFFAOYSA-N
XLogP3.79
TPSA95.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-[4-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
CID 117088064
6,7-dimethoxy-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine
CID 117094579
6,7-dimethoxy-2-methyl-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine
CID 146197360
ethyl 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-6,7-dimethoxyquinazolin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 90731762
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
6-methoxy-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683086
7-[7-methoxy-4-[2-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 68728406
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966287
[4-[2-[(6-methoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]methanol
CID 133434949
4-[2-[[2-[(2-methylpyrazol-3-yl)amino]-9-thiophen-3-ylpurin-6-yl]amino]ethyl]phenol
CID 117092176

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine?
The IUPAC name of 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine (CID 117093892) is 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine?
The canonical SMILES for 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine is COc1ccc(CCNc2nc(Nc3ccnn3C)nc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine?
The InChIKey is IZZHMAXSCSYSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-29-21(10-12-25-29)27-23-26-18-14-20(32-4)19(31-3)13-17(18)22(28-23)24-11-9-15-5-7-16(30-2)8-6-15/h5-8,10,12-14H,9,11H2,1-4H3,(H2,24,26,27,28).
What are the key properties of 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine?
6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine has a molecular weight of 434.50 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(2-methylpyrazol-3-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 117093892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).