(NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine

C26H23F2N5O — CID 146676584

IUPAC(NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine
SMILESNC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccnc(/C=N/O)c4)cc23)CC1
InChIInChI=1S/C26H23F2N5O/c27-19-9-18(10-20(28)13-19)24-15-31-25-2-1-16(17-3-6-30-22(11-17)14-32-34)12-23(25)26(24)33-7-4-21(29)5-8-33/h1-3,6,9-15,21,34H,4-5,7-8,29H2/b32-14+
InChIKeyCHKNAHXXPPNOMM-HIWRWHBISA-N
MW459.50 g/mol
LogP4.98
Rot. Bonds4

About (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine (PubChem CID 146676584) has the molecular formula C26H23F2N5O and a molecular weight of 459.50 g/mol. Its IUPAC name is (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine
PubChem CID146676584
Molecular FormulaC26H23F2N5O
Molecular Weight459.50 g/mol
Exact Mass459.19
IUPAC Name(NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine
SMILESNC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccnc(/C=N/O)c4)cc23)CC1
InChIInChI=1S/C26H23F2N5O/c27-19-9-18(10-20(28)13-19)24-15-31-25-2-1-16(17-3-6-30-22(11-17)14-32-34)12-23(25)26(24)33-7-4-21(29)5-8-33/h1-3,6,9-15,21,34H,4-5,7-8,29H2/b32-14+
InChIKeyCHKNAHXXPPNOMM-HIWRWHBISA-N
XLogP4.98
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[[3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-5-fluoro-4-pyridinyl]methylidene]hydroxylamine
CID 146676574
N-[[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-6-fluorophenyl]methylidene]hydroxylamine
CID 140837106
2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]benzonitrile
CID 171344151
3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-5-chloro-4-fluoro-2-hydroxybenzonitrile
CID 134168306
5-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-6-(azetidin-1-yl)pyridine-3-carboxamide
CID 140837210
(3S,4R)-4-amino-1-[6-[3-fluoro-2-[(E)-hydroxyiminomethyl]phenyl]-3-(3-fluoro-5-methylphenyl)quinolin-4-yl]piperidin-3-ol
CID 134168318
3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-(cyanomethoxy)benzonitrile
CID 140837011
3-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-fluoro-2-hydroxybenzonitrile
CID 140837070
2-acetyl-3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]benzonitrile
CID 134180099
methyl N-[3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-5-cyano-4-pyridinyl]carbamate
CID 140837203
N-[[3-[4-(1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine
CID 175383689
methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-6-cyanophenyl]carbamate
CID 134168308

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine (CID 146676584) is (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine is NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4ccnc(/C=N/O)c4)cc23)CC1.
What is the InChIKey of (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine?
The InChIKey is CHKNAHXXPPNOMM-HIWRWHBISA-N. The full InChI is InChI=1S/C26H23F2N5O/c27-19-9-18(10-20(28)13-19)24-15-31-25-2-1-16(17-3-6-30-22(11-17)14-32-34)12-23(25)26(24)33-7-4-21(29)5-8-33/h1-3,6,9-15,21,34H,4-5,7-8,29H2/b32-14+.
What are the key properties of (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine has a molecular weight of 459.50 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 146676584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).