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

C28H27ClN2O3 — CID 54689660

IUPAC7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccc(CCN3CCOCC3)cc2)c1
InChIInChI=1S/C28H27ClN2O3/c29-23-8-9-24-25(18-23)30-28(33)26(27(24)32)22-3-1-2-21(17-22)16-20-6-4-19(5-7-20)10-11-31-12-14-34-15-13-31/h1-9,17-18H,10-16H2,(H2,30,32,33)
InChIKeyPPMAHFBPCHSITB-UHFFFAOYSA-N
MW474.99 g/mol
LogP5.02
Rot. Bonds6

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

7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one (PubChem CID 54689660) has the molecular formula C28H27ClN2O3 and a molecular weight of 474.99 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one
PubChem CID54689660
Molecular FormulaC28H27ClN2O3
Molecular Weight474.99 g/mol
Exact Mass474.17
IUPAC Name7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccc(CCN3CCOCC3)cc2)c1
InChIInChI=1S/C28H27ClN2O3/c29-23-8-9-24-25(18-23)30-28(33)26(27(24)32)22-3-1-2-21(17-22)16-20-6-4-19(5-7-20)10-11-31-12-14-34-15-13-31/h1-9,17-18H,10-16H2,(H2,30,32,33)
InChIKeyPPMAHFBPCHSITB-UHFFFAOYSA-N
XLogP5.02
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-(3-benzylaminophenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54710935
7-chloro-4-hydroxy-3-[3-[[4-(methylamino)phenyl]methyl]phenyl]-1H-quinolin-2-one
CID 54735572
7-chloro-3-(3,5-dimethylphenyl)-4-(1-methyl-piperidin-3-ylmethoxy)-1H-quinolin-2-one
CID 44322402
7-chloro-4-hydroxy-3-(3-methylphenyl)-2(1H)-quinolone
CID 54680418
7-chloro-4-hydroxy-3-[3-(2-phenylethynyl)phenyl]-1H-quinolin-2-one
CID 54683875
3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
CID 54698869
3-(3-benzylphenyl)-7-chloro-4-hydroxy-2(1H)-quinolone
CID 54699137
7-chloro-4-hydroxy-3-(4-methylphenyl)-2(1H)-quinolone
CID 54704580
7-Chloro-3-(3,5-dimethyl-phenyl)-4-(piperidin-3-ylmethoxy)-1H-quinolin-2-one
CID 44322401
7-Chloro-3-(3,5-dimethyl-phenyl)-4-[2-(1-methyl-pyrrolidin-2-yl)-ethoxy]-1H-quinolin-2-one
CID 44322433
7-Chloro-3-(3,5-dimethyl-phenyl)-4-[2-(1-methyl-piperidin-2-yl)-ethoxy]-1H-quinolin-2-one
CID 44322442
7-Chloro-3-(3,5-dimethyl-phenyl)-4-(1-methyl-azepan-4-yloxy)-1H-quinolin-2-one
CID 44322443

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one (CID 54689660) is 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccc(CCN3CCOCC3)cc2)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one?
The InChIKey is PPMAHFBPCHSITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O3/c29-23-8-9-24-25(18-23)30-28(33)26(27(24)32)22-3-1-2-21(17-22)16-20-6-4-19(5-7-20)10-11-31-12-14-34-15-13-31/h1-9,17-18H,10-16H2,(H2,30,32,33).
What are the key properties of 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one has a molecular weight of 474.99 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-[3-[[4-(2-morpholin-4-ylethyl)phenyl]methyl]phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54689660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).