2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide

C30H26FN7O4 — CID 11365089

IUPAC2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(Cn3c(-c4cccnc4Oc4ccccc4)nc4cccc(F)c4c3=O)CC2)nc1
InChIInChI=1S/C30H26FN7O4/c31-23-9-4-10-24-25(23)29(40)38(26(35-24)22-8-5-13-32-28(22)42-21-6-2-1-3-7-21)18-19-11-14-37(15-12-19)30-33-16-20(17-34-30)27(39)36-41/h1-10,13,16-17,19,41H,11-12,14-15,18H2,(H,36,39)
InChIKeyXCWCLUPICRRZDQ-UHFFFAOYSA-N
MW567.58 g/mol
LogP4.22
Rot. Bonds7

About 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide

2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 11365089) has the molecular formula C30H26FN7O4 and a molecular weight of 567.58 g/mol. Its IUPAC name is 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
PubChem CID11365089
Molecular FormulaC30H26FN7O4
Molecular Weight567.58 g/mol
Exact Mass567.20
IUPAC Name2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCC(Cn3c(-c4cccnc4Oc4ccccc4)nc4cccc(F)c4c3=O)CC2)nc1
InChIInChI=1S/C30H26FN7O4/c31-23-9-4-10-24-25(23)29(40)38(26(35-24)22-8-5-13-32-28(22)42-21-6-2-1-3-7-21)18-19-11-14-37(15-12-19)30-33-16-20(17-34-30)27(39)36-41/h1-10,13,16-17,19,41H,11-12,14-15,18H2,(H,36,39)
InChIKeyXCWCLUPICRRZDQ-UHFFFAOYSA-N
XLogP4.22
TPSA135.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.58
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[4-[[(7-fluoro-1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 11589660
N-hydroxy-2-[4-[[2-(3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 147230311
N-hydroxy-2-[6-[(4-phenoxyphenyl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367667
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109262320
N-hydroxy-2-[4-[[(1-methylindol-6-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 11632605
2-[(3aS,6aR)-5-(4-phenoxybutanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-N-hydroxypyrimidine-5-carboxamide
CID 52942121
(2S)-2-[[4-[[[1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]phenyl]methylamino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 24985888
2-[4-[[2-(6-chloro-3H-inden-1-yl)ethylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide
CID 160914774
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 55802649
N-hydroxy-2-[6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 59367687

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide (CID 11365089) is 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCC(Cn3c(-c4cccnc4Oc4ccccc4)nc4cccc(F)c4c3=O)CC2)nc1.
What is the InChIKey of 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is XCWCLUPICRRZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O4/c31-23-9-4-10-24-25(23)29(40)38(26(35-24)22-8-5-13-32-28(22)42-21-6-2-1-3-7-21)18-19-11-14-37(15-12-19)30-33-16-20(17-34-30)27(39)36-41/h1-10,13,16-17,19,41H,11-12,14-15,18H2,(H,36,39).
What are the key properties of 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide?
2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 567.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-fluoro-4-oxo-2-(2-phenoxy-3-pyridinyl)quinazolin-3-yl]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 11365089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).