7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one

C24H21ClN2O2 — CID 54722219

IUPAC7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one
SMILESCNCc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-26-14-16-7-5-15(6-8-16)11-17-3-2-4-18(12-17)22-23(28)20-10-9-19(25)13-21(20)27-24(22)29/h2-10,12-13,26H,11,14H2,1H3,(H2,27,28,29)
InChIKeyYPFQCKRQPWODIX-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.86
Rot. Bonds5

About 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one

7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one (PubChem CID 54722219) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one
PubChem CID54722219
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one
SMILESCNCc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-26-14-16-7-5-15(6-8-16)11-17-3-2-4-18(12-17)22-23(28)20-10-9-19(25)13-21(20)27-24(22)29/h2-10,12-13,26H,11,14H2,1H3,(H2,27,28,29)
InChIKeyYPFQCKRQPWODIX-UHFFFAOYSA-N
XLogP4.86
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one (CID 54722219) is 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one is CNCc1ccc(Cc2cccc(-c3c(O)c4ccc(Cl)cc4[nH]c3=O)c2)cc1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The InChIKey is YPFQCKRQPWODIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-26-14-16-7-5-15(6-8-16)11-17-3-2-4-18(12-17)22-23(28)20-10-9-19(25)13-21(20)27-24(22)29/h2-10,12-13,26H,11,14H2,1H3,(H2,27,28,29).
What are the key properties of 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one has a molecular weight of 404.90 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-[3-[[4-(methylaminomethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54722219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).