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

C23H25ClN4O2 — CID 10906000

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C23H25ClN4O2/c24-17-4-5-20-21(6-7-25-22(20)12-17)26-18-10-16(15-29)11-19(13-18)27-23(30)14-28-8-2-1-3-9-28/h4-7,10-13,29H,1-3,8-9,14-15H2,(H,25,26)(H,27,30)
InChIKeyXFHCCMSULFLQGX-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.55
Rot. Bonds6

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

N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 10906000) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide
PubChem CID10906000
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C23H25ClN4O2/c24-17-4-5-20-21(6-7-25-22(20)12-17)26-18-10-16(15-29)11-19(13-18)27-23(30)14-28-8-2-1-3-9-28/h4-7,10-13,29H,1-3,8-9,14-15H2,(H,25,26)(H,27,30)
InChIKeyXFHCCMSULFLQGX-UHFFFAOYSA-N
XLogP4.55
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide (CID 10906000) is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is XFHCCMSULFLQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c24-17-4-5-20-21(6-7-25-22(20)12-17)26-18-10-16(15-29)11-19(13-18)27-23(30)14-28-8-2-1-3-9-28/h4-7,10-13,29H,1-3,8-9,14-15H2,(H,25,26)(H,27,30).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide?
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 424.93 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 10906000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).