3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile

C27H25N5O2 — CID 171351245

IUPAC3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile
SMILESCOc1cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)ccn1
InChIInChI=1S/C27H25N5O2/c1-34-25-14-18(7-10-30-25)23-16-31-24-6-5-17(21-4-2-3-19(15-28)27(21)33)13-22(24)26(23)32-11-8-20(29)9-12-32/h2-7,10,13-14,16,20,33H,8-9,11-12,29H2,1H3
InChIKeyUYPLBIIEBVKZPV-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.48
Rot. Bonds4

About 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile

3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile (PubChem CID 171351245) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile.

Molecular Properties

Compound Name3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile
PubChem CID171351245
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile
SMILESCOc1cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)ccn1
InChIInChI=1S/C27H25N5O2/c1-34-25-14-18(7-10-30-25)23-16-31-24-6-5-17(21-4-2-3-19(15-28)27(21)33)13-22(24)26(23)32-11-8-20(29)9-12-32/h2-7,10,13-14,16,20,33H,8-9,11-12,29H2,1H3
InChIKeyUYPLBIIEBVKZPV-UHFFFAOYSA-N
XLogP4.48
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile?
The IUPAC name of 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile (CID 171351245) is 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile.
What is the SMILES notation for 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile?
The canonical SMILES for 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile is COc1cc(-c2cnc3ccc(-c4cccc(C#N)c4O)cc3c2N2CCC(N)CC2)ccn1.
What is the InChIKey of 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile?
The InChIKey is UYPLBIIEBVKZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-34-25-14-18(7-10-30-25)23-16-31-24-6-5-17(21-4-2-3-19(15-28)27(21)33)13-22(24)26(23)32-11-8-20(29)9-12-32/h2-7,10,13-14,16,20,33H,8-9,11-12,29H2,1H3.
What are the key properties of 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile?
3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile has a molecular weight of 451.53 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminopiperidin-1-yl)-3-(2-methoxy-4-pyridinyl)quinolin-6-yl]-2-hydroxybenzonitrile is sourced from PubChem (CID 171351245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).