N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine

C21H23N5O4S — CID 87280710

IUPACN-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine
SMILES[H]N=S(=O)(CC)c1cccc(COc2cc3ncnc(NN4C=COC4)c3cc2OC)c1
InChIInChI=1S/C21H23N5O4S/c1-3-31(22,27)16-6-4-5-15(9-16)12-30-20-11-18-17(10-19(20)28-2)21(24-13-23-18)25-26-7-8-29-14-26/h4-11,13,22H,3,12,14H2,1-2H3,(H,23,24,25)
InChIKeyNCXJWVKVMANMNE-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.73
Rot. Bonds8

About N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine

N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine (PubChem CID 87280710) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine.

Molecular Properties

Compound NameN-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine
PubChem CID87280710
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC NameN-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine
SMILES[H]N=S(=O)(CC)c1cccc(COc2cc3ncnc(NN4C=COC4)c3cc2OC)c1
InChIInChI=1S/C21H23N5O4S/c1-3-31(22,27)16-6-4-5-15(9-16)12-30-20-11-18-17(10-19(20)28-2)21(24-13-23-18)25-26-7-8-29-14-26/h4-11,13,22H,3,12,14H2,1-2H3,(H,23,24,25)
InChIKeyNCXJWVKVMANMNE-UHFFFAOYSA-N
XLogP3.73
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine with MolForge

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Related Compounds

7-[[3-(amino-ethylidene-oxo-λ6-sulfanyl)phenyl]methoxy]-N-cyclopropyl-6-methoxyquinazolin-4-amine
CID 91567277
ethyl N-[[3-[[4-(3-cyanoanilino)-6-methoxyquinazolin-7-yl]oxymethyl]phenyl]-methylidene-oxo-λ6-sulfanyl]carbamate
CID 90990151
7-[[3-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methoxy]-6-bromo-N-cyclopropylquinazolin-4-amine
CID 90882771
6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine
CID 90871779
ethyl N-[[3-[[6-bromo-4-(2-hydroxyethylamino)quinazolin-7-yl]oxymethyl]phenyl]-methylidene-oxo-λ6-sulfanyl]carbamate
CID 90847692
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-(2-bromo-4-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine
CID 141250948
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
CID 2808856
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
[4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenyl] methyl carbonate
CID 22624931
CID 87287293
CID 87287293

Frequently Asked Questions

What is the IUPAC name of N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine?
The IUPAC name of N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine (CID 87280710) is N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine.
What is the SMILES notation for N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine?
The canonical SMILES for N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine is [H]N=S(=O)(CC)c1cccc(COc2cc3ncnc(NN4C=COC4)c3cc2OC)c1.
What is the InChIKey of N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine?
The InChIKey is NCXJWVKVMANMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-3-31(22,27)16-6-4-5-15(9-16)12-30-20-11-18-17(10-19(20)28-2)21(24-13-23-18)25-26-7-8-29-14-26/h4-11,13,22H,3,12,14H2,1-2H3,(H,23,24,25).
What are the key properties of N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine?
N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine has a molecular weight of 441.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine is sourced from PubChem (CID 87280710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).