N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine

C19H20FN3O4 — CID 57300434

IUPACN-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine
SMILESCOCCOc1cc2ncnc(N(O)c3ccc(C)cc3F)c2cc1OC
InChIInChI=1S/C19H20FN3O4/c1-12-4-5-16(14(20)8-12)23(24)19-13-9-17(26-3)18(27-7-6-25-2)10-15(13)21-11-22-19/h4-5,8-11,24H,6-7H2,1-3H3
InChIKeyOEHJNMXSBZHQQE-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.64
Rot. Bonds7

About N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine

N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine (PubChem CID 57300434) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine
PubChem CID57300434
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine
SMILESCOCCOc1cc2ncnc(N(O)c3ccc(C)cc3F)c2cc1OC
InChIInChI=1S/C19H20FN3O4/c1-12-4-5-16(14(20)8-12)23(24)19-13-9-17(26-3)18(27-7-6-25-2)10-15(13)21-11-22-19/h4-5,8-11,24H,6-7H2,1-3H3
InChIKeyOEHJNMXSBZHQQE-UHFFFAOYSA-N
XLogP3.64
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
CID 149497994
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
N-(3-ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)-N-phosphanylquinazolin-4-amine
CID 123879489
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
2-amino-3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]cyclohexa-2,5-diene-1,4-dione
CID 69325622
1-(4-bromo-2-fluorophenyl)-1-[6-methoxy-7-[[4-(trifluoromethyl)phenyl]methoxy]quinazolin-4-yl]hydrazine
CID 118884446
1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
CID 20785388
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
CID 66907480
6-methoxy-7-(2-methoxyethoxy)-N-(2,3,5-trimethoxyphenyl)quinazolin-4-amine
CID 11517241
6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 127028037
7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 127028038

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine (CID 57300434) is N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine is COCCOc1cc2ncnc(N(O)c3ccc(C)cc3F)c2cc1OC.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine?
The InChIKey is OEHJNMXSBZHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-12-4-5-16(14(20)8-12)23(24)19-13-9-17(26-3)18(27-7-6-25-2)10-15(13)21-11-22-19/h4-5,8-11,24H,6-7H2,1-3H3.
What are the key properties of N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine?
N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine has a molecular weight of 373.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine is sourced from PubChem (CID 57300434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).