[1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol

C18H18FN5O — CID 165380270

IUPAC[1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol
SMILES[H]/N=C(\C)n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(CO)cc21
InChIInChI=1S/C18H18FN5O/c1-11(20)24-16-8-12(10-25)15(19)9-14(16)17(22-18(24)21)23(2)13-6-4-3-5-7-13/h3-9,20-21,25H,10H2,1-2H3/b20-11+,21-18+
InChIKeyILOVDZLLTSWLRJ-IJYYVMIVSA-N
MW339.37 g/mol
LogP2.76
Rot. Bonds3

About [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol

[1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol (PubChem CID 165380270) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol.

Molecular Properties

Compound Name[1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol
PubChem CID165380270
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name[1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol
SMILES[H]/N=C(\C)n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(CO)cc21
InChIInChI=1S/C18H18FN5O/c1-11(20)24-16-8-12(10-25)15(19)9-14(16)17(22-18(24)21)23(2)13-6-4-3-5-7-13/h3-9,20-21,25H,10H2,1-2H3/b20-11+,21-18+
InChIKeyILOVDZLLTSWLRJ-IJYYVMIVSA-N
XLogP2.76
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine
CID 156800681
6-fluoro-2-imino-1-methanimidoyl-4-N,7-N,7-N-trimethyl-4-N-phenylquinazoline-4,7-diamine
CID 165380268
N-(2,2-difluoroethyl)-1-ethanimidoyl-6-fluoro-2-imino-N-(3-methylphenyl)quinazolin-4-amine
CID 156800504
2-[[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]amino]ethanol
CID 156557084
7,8-difluoro-N,1-dimethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 156557224
3-[2-imino-1-methanimidoyl-4-(N-methylanilino)quinazolin-7-yl]prop-2-yn-1-ol
CID 165380711
2-imino-1-methanimidoyl-N-methyl-N-phenyl-6-pyridin-4-ylquinazolin-4-amine
CID 156557085
2-imino-1-methanimidoyl-7-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 156557254
7-ethynyl-2-imino-1-methanimidoyl-N-methyl-N-phenylquinazolin-4-amine
CID 165380547
2-imino-1-methanimidoyl-N-methyl-N-phenyl-7-(2-phenylethynyl)quinazolin-4-amine
CID 165380633
2-imino-1-methanimidoyl-8-methoxy-N-methyl-N-phenylquinazolin-4-amine
CID 165380349
N-(2,2-difluoroethyl)-1-ethanimidoyl-5-fluoro-N-(3-fluoro-5-methylphenyl)-2-iminoquinazolin-4-amine;ethane;1-methyl-1-(trifluoromethyl)cyclopropane
CID 156800458

Frequently Asked Questions

What is the IUPAC name of [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol?
The IUPAC name of [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol (CID 165380270) is [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol.
What is the SMILES notation for [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol?
The canonical SMILES for [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol is [H]/N=C(\C)n1/c(=N/[H])nc(N(C)c2ccccc2)c2cc(F)c(CO)cc21.
What is the InChIKey of [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol?
The InChIKey is ILOVDZLLTSWLRJ-IJYYVMIVSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-11(20)24-16-8-12(10-25)15(19)9-14(16)17(22-18(24)21)23(2)13-6-4-3-5-7-13/h3-9,20-21,25H,10H2,1-2H3/b20-11+,21-18+.
What are the key properties of [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol?
[1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol has a molecular weight of 339.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethanimidoyl-6-fluoro-2-imino-4-(N-methylanilino)quinazolin-7-yl]methanol is sourced from PubChem (CID 165380270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).