N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride

C22H26ClN3O5 — CID 67730103

IUPACN-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(OC(C)C4OCCCO4)cc3)c2cc1OC.Cl
InChIInChI=1S/C22H25N3O5.ClH/c1-14(22-28-9-4-10-29-22)30-16-7-5-15(6-8-16)25-21-17-11-19(26-2)20(27-3)12-18(17)23-13-24-21;/h5-8,11-14,22H,4,9-10H2,1-3H3,(H,23,24,25);1H
InChIKeyQKVMFNTXRRAYKX-UHFFFAOYSA-N
MW447.92 g/mol
LogP4.34
Rot. Bonds7

About N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride

N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride (PubChem CID 67730103) has the molecular formula C22H26ClN3O5 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
PubChem CID67730103
Molecular FormulaC22H26ClN3O5
Molecular Weight447.92 g/mol
Exact Mass447.16
IUPAC NameN-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
SMILESCOc1cc2ncnc(Nc3ccc(OC(C)C4OCCCO4)cc3)c2cc1OC.Cl
InChIInChI=1S/C22H25N3O5.ClH/c1-14(22-28-9-4-10-29-22)30-16-7-5-15(6-8-16)25-21-17-11-19(26-2)20(27-3)12-18(17)23-13-24-21;/h5-8,11-14,22H,4,9-10H2,1-3H3,(H,23,24,25);1H
InChIKeyQKVMFNTXRRAYKX-UHFFFAOYSA-N
XLogP4.34
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 18770778
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 67730150
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
CID 145270386
6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine
CID 122628730
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
CID 145172275
N-(3,4-dichlorophenyl)-6-methoxy-7-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]quinazolin-4-amine;hydrochloride
CID 66838541
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The IUPAC name of N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride (CID 67730103) is N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The canonical SMILES for N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride is COc1cc2ncnc(Nc3ccc(OC(C)C4OCCCO4)cc3)c2cc1OC.Cl.
What is the InChIKey of N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
The InChIKey is QKVMFNTXRRAYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5.ClH/c1-14(22-28-9-4-10-29-22)30-16-7-5-15(6-8-16)25-21-17-11-19(26-2)20(27-3)12-18(17)23-13-24-21;/h5-8,11-14,22H,4,9-10H2,1-3H3,(H,23,24,25);1H.
What are the key properties of N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride?
N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride has a molecular weight of 447.92 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-dioxan-2-yl)ethoxy]phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 67730103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).