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

C22H23ClN4O3 — CID 10884433

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C22H23ClN4O3/c23-16-1-2-19-20(3-4-24-21(19)11-16)25-17-9-15(14-28)10-18(12-17)26-22(29)13-27-5-7-30-8-6-27/h1-4,9-12,28H,5-8,13-14H2,(H,24,25)(H,26,29)
InChIKeyPMWUEGZPVPYQOP-UHFFFAOYSA-N
MW426.90 g/mol
LogP3.39
Rot. Bonds6

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

N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 10884433) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID10884433
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C22H23ClN4O3/c23-16-1-2-19-20(3-4-24-21(19)11-16)25-17-9-15(14-28)10-18(12-17)26-22(29)13-27-5-7-30-8-6-27/h1-4,9-12,28H,5-8,13-14H2,(H,24,25)(H,26,29)
InChIKeyPMWUEGZPVPYQOP-UHFFFAOYSA-N
XLogP3.39
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.39
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-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide (CID 10884433) is N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc(CO)cc(Nc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is PMWUEGZPVPYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c23-16-1-2-19-20(3-4-24-21(19)11-16)25-17-9-15(14-28)10-18(12-17)26-22(29)13-27-5-7-30-8-6-27/h1-4,9-12,28H,5-8,13-14H2,(H,24,25)(H,26,29).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide?
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 426.90 g/mol, XLogP of 3.39, 6 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-(hydroxymethyl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 10884433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).