N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide

C28H34ClN5O2 — CID 10896462

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(CN2CCC(O)CC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C28H34ClN5O2/c29-21-4-5-25-26(6-9-30-27(25)16-21)31-22-14-20(18-34-12-7-24(35)8-13-34)15-23(17-22)32-28(36)19-33-10-2-1-3-11-33/h4-6,9,14-17,24,35H,1-3,7-8,10-13,18-19H2,(H,30,31)(H,32,36)
InChIKeyNYMHTAUWRGVXEZ-UHFFFAOYSA-N
MW508.07 g/mol
LogP5.01
Rot. Bonds7

About N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide

N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 10896462) has the molecular formula C28H34ClN5O2 and a molecular weight of 508.07 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide
PubChem CID10896462
Molecular FormulaC28H34ClN5O2
Molecular Weight508.07 g/mol
Exact Mass507.24
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(CN2CCC(O)CC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C28H34ClN5O2/c29-21-4-5-25-26(6-9-30-27(25)16-21)31-22-14-20(18-34-12-7-24(35)8-13-34)15-23(17-22)32-28(36)19-33-10-2-1-3-11-33/h4-6,9,14-17,24,35H,1-3,7-8,10-13,18-19H2,(H,30,31)(H,32,36)
InChIKeyNYMHTAUWRGVXEZ-UHFFFAOYSA-N
XLogP5.01
TPSA80.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.07
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide (CID 10896462) is N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cc(CN2CCC(O)CC2)cc(Nc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is NYMHTAUWRGVXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN5O2/c29-21-4-5-25-26(6-9-30-27(25)16-21)31-22-14-20(18-34-12-7-24(35)8-13-34)15-23(17-22)32-28(36)19-33-10-2-1-3-11-33/h4-6,9,14-17,24,35H,1-3,7-8,10-13,18-19H2,(H,30,31)(H,32,36).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide?
N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 508.07 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 10896462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).