N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine

C23H24ClN3O5 — CID 86594820

IUPACN-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cc(OC[C@H]4CO4)cc(OC4CCOCC4)c23)c1
InChIInChI=1S/C23H24ClN3O5/c1-28-15-2-3-18(24)19(8-15)27-23-22-20(25-13-26-23)9-16(30-11-17-12-31-17)10-21(22)32-14-4-6-29-7-5-14/h2-3,8-10,13-14,17H,4-7,11-12H2,1H3,(H,25,26,27)/t17-/m0/s1
InChIKeyJXDAIWSXEHPETI-KRWDZBQOSA-N
MW457.91 g/mol
LogP4.37
Rot. Bonds8

About N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine

N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine (PubChem CID 86594820) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine
PubChem CID86594820
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC NameN-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine
SMILESCOc1ccc(Cl)c(Nc2ncnc3cc(OC[C@H]4CO4)cc(OC4CCOCC4)c23)c1
InChIInChI=1S/C23H24ClN3O5/c1-28-15-2-3-18(24)19(8-15)27-23-22-20(25-13-26-23)9-16(30-11-17-12-31-17)10-21(22)32-14-4-6-29-7-5-14/h2-3,8-10,13-14,17H,4-7,11-12H2,1H3,(H,25,26,27)/t17-/m0/s1
InChIKeyJXDAIWSXEHPETI-KRWDZBQOSA-N
XLogP4.37
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2,4-dichloro-5-methoxyanilino)-5-(oxan-4-yloxy)quinazolin-7-yl] acetate
CID 22140824
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
N-(2-chloro-5-methoxyphenyl)-7-methoxy-5-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 11973907
4-[(2-chloro-5-methoxy-3-pyridinyl)amino]-5-(oxan-4-yloxy)quinazolin-7-ol
CID 135430668
N-(3-chloro-4-fluorophenyl)-7-[2-[2-methoxyethyl(methyl)amino]ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 68885905
N-(5-chloro-2,2-dideuterio-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 138698452
N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 173003015
N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)quinazolin-4-amine
CID 126605179
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine;hydrochloride
CID 11974114
N-(1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 11974021
N-(5-chloronaphthalen-1-yl)-7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;dihydrochloride
CID 22140771
4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine
CID 118101350

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine (CID 86594820) is N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine is COc1ccc(Cl)c(Nc2ncnc3cc(OC[C@H]4CO4)cc(OC4CCOCC4)c23)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine?
The InChIKey is JXDAIWSXEHPETI-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-28-15-2-3-18(24)19(8-15)27-23-22-20(25-13-26-23)9-16(30-11-17-12-31-17)10-21(22)32-14-4-6-29-7-5-14/h2-3,8-10,13-14,17H,4-7,11-12H2,1H3,(H,25,26,27)/t17-/m0/s1.
What are the key properties of N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine?
N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine has a molecular weight of 457.91 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine is sourced from PubChem (CID 86594820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).