6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride

C20H25ClN4O4 — CID 45054366

IUPAC6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride
SMILESCOc1cc2nc(N(C)CCOc3ccccc3OC)nc(N)c2cc1OC.Cl
InChIInChI=1S/C20H24N4O4.ClH/c1-24(9-10-28-16-8-6-5-7-15(16)25-2)20-22-14-12-18(27-4)17(26-3)11-13(14)19(21)23-20;/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23);1H
InChIKeyXSRNHLQNYQRLFL-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.17
Rot. Bonds8

About 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride

6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride (PubChem CID 45054366) has the molecular formula C20H25ClN4O4 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride
PubChem CID45054366
Molecular FormulaC20H25ClN4O4
Molecular Weight420.90 g/mol
Exact Mass420.16
IUPAC Name6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride
SMILESCOc1cc2nc(N(C)CCOc3ccccc3OC)nc(N)c2cc1OC.Cl
InChIInChI=1S/C20H24N4O4.ClH/c1-24(9-10-28-16-8-6-5-7-15(16)25-2)20-22-14-12-18(27-4)17(26-3)11-13(14)19(21)23-20;/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23);1H
InChIKeyXSRNHLQNYQRLFL-UHFFFAOYSA-N
XLogP3.17
TPSA91.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-[2-(diethylamino)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 134115399
2-N-(3-aminopropyl)-6,7-dimethoxy-2-N-(trideuteriomethyl)quinazoline-2,4-diamine
CID 46780251
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 12919466
6,7-dimethoxy-2-N-methyl-2-N-[(4-phenylpiperidin-4-yl)methyl]quinazoline-2,4-diamine
CID 11486612
2-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-ethylamino]ethanol
CID 134103872
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 10767981
3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(pyridin-2-ylmethyl)amino]propan-1-ol
CID 100642766
2-N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine
CID 91225306
2-N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-(trideuteriomethyl)amino]propyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 169437840
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(2-methoxyphenoxy)-N-methylethanamine
CID 14895640
carbamoyl 4-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]methyl]-4-phenylpiperidine-1-carboxylate
CID 91254220
N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
CID 71871490

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride (CID 45054366) is 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride is COc1cc2nc(N(C)CCOc3ccccc3OC)nc(N)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride?
The InChIKey is XSRNHLQNYQRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4.ClH/c1-24(9-10-28-16-8-6-5-7-15(16)25-2)20-22-14-12-18(27-4)17(26-3)11-13(14)19(21)23-20;/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride?
6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride has a molecular weight of 420.90 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-N-[2-(2-methoxyphenoxy)ethyl]-2-N-methylquinazoline-2,4-diamine;hydrochloride is sourced from PubChem (CID 45054366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).