4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one

C19H17FN4O2 — CID 121254796

IUPAC4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one
SMILESO=C1CCC(Nc2ncnc3ccc(-c4cnc(F)c(O)c4)cc23)CC1
InChIInChI=1S/C19H17FN4O2/c20-18-17(26)8-12(9-21-18)11-1-6-16-15(7-11)19(23-10-22-16)24-13-2-4-14(25)5-3-13/h1,6-10,13,26H,2-5H2,(H,22,23,24)
InChIKeyDVKRYYIUHDMZID-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.46
Rot. Bonds3

About 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one

4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one (PubChem CID 121254796) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one
PubChem CID121254796
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one
SMILESO=C1CCC(Nc2ncnc3ccc(-c4cnc(F)c(O)c4)cc23)CC1
InChIInChI=1S/C19H17FN4O2/c20-18-17(26)8-12(9-21-18)11-1-6-16-15(7-11)19(23-10-22-16)24-13-2-4-14(25)5-3-13/h1,6-10,13,26H,2-5H2,(H,22,23,24)
InChIKeyDVKRYYIUHDMZID-UHFFFAOYSA-N
XLogP3.46
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[4-[[4-(4,4-difluoropiperidin-1-yl)cyclohexyl]amino]quinazolin-6-yl]-2-fluoropyridin-3-ol
CID 121266043
2-fluoro-5-[4-[[4-(4-methylsulfinylpiperazin-1-yl)cyclohexyl]amino]quinazolin-6-yl]pyridin-3-ol;hydrate
CID 159869563
5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde
CID 57435174
1-N-methyl-4-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 121266064
5-[4-[[4-(dimethylamino)cyclohexyl]amino]quinazolin-6-yl]pyridine-3-carboxylic acid
CID 130446833
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]-2,3,4,5,6-pentafluorobenzamide
CID 57434821
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]cyclohexanecarboxamide
CID 68941191
4-N,4-N-dimethyl-1-N-[6-(5-methylsulfonyl-3-pyridinyl)quinazolin-4-yl]cyclohexane-1,4-diamine
CID 130446877

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one?
The IUPAC name of 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one (CID 121254796) is 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one is O=C1CCC(Nc2ncnc3ccc(-c4cnc(F)c(O)c4)cc23)CC1.
What is the InChIKey of 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one?
The InChIKey is DVKRYYIUHDMZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-18-17(26)8-12(9-21-18)11-1-6-16-15(7-11)19(23-10-22-16)24-13-2-4-14(25)5-3-13/h1,6-10,13,26H,2-5H2,(H,22,23,24).
What are the key properties of 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one?
4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one has a molecular weight of 352.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(6-fluoro-5-hydroxy-3-pyridinyl)quinazolin-4-yl]amino]cyclohexan-1-one is sourced from PubChem (CID 121254796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).