6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one

C20H19ClN2O2 — CID 659811

IUPAC6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCOCC1
InChIInChI=1S/C20H19ClN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,22,24)
InChIKeySBGMBMKVUXHESB-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.68
Rot. Bonds3

About 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one

6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one (PubChem CID 659811) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one
PubChem CID659811
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCOCC1
InChIInChI=1S/C20H19ClN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,22,24)
InChIKeySBGMBMKVUXHESB-UHFFFAOYSA-N
XLogP3.68
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
CID 882910
6-Chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl morpholine-4-carbodithioate
CID 1392072
4-Morpholineacetamide, N-(2-benzoyl-4-chlorophenyl)-
CID 173684
3-(4-chlorophenyl)-N-[4-(4-morpholinyl)phenyl]acrylamide
CID 2263829
(2E)-3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493877
N-(4-chlorophenyl)-2-(4-morpholinyl)-2-phenylacetamide
CID 2991805
3-(3-Chloro-phenyl)-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-(3-morpholin-4-yl-propyl)-urea
CID 649139
N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 1342233
(E)-6-chloro-4-(1-cinnamylpiperidin-4-ylamino)-1-methylquinolin-2(1H)-one
CID 20817846
2-[(4-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 2803203
Morpholine-4-carboxylic acid (2-chloro-benzyl)-(6-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide
CID 648501
3-(4-chlorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3195139

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one (CID 659811) is 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCOCC1.
What is the InChIKey of 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one?
The InChIKey is SBGMBMKVUXHESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-15-6-7-18-16(12-15)19(14-4-2-1-3-5-14)17(20(24)22-18)13-23-8-10-25-11-9-23/h1-7,12H,8-11,13H2,(H,22,24).
What are the key properties of 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one?
6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one has a molecular weight of 354.84 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(morpholin-4-ylmethyl)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 659811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).