(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

C22H27N3O2 — CID 95127758

IUPAC(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C22H27N3O2/c1-24(2)18-6-7-19-20(14-22(26)23-21(19)13-18)17-5-3-4-16(12-17)15-25-8-10-27-11-9-25/h3-7,12-13,20H,8-11,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyWYWYNKJQUKVXSC-HXUWFJFHSA-N
MW365.48 g/mol
LogP3.06
Rot. Bonds4

About (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95127758) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID95127758
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C22H27N3O2/c1-24(2)18-6-7-19-20(14-22(26)23-21(19)13-18)17-5-3-4-16(12-17)15-25-8-10-27-11-9-25/h3-7,12-13,20H,8-11,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyWYWYNKJQUKVXSC-HXUWFJFHSA-N
XLogP3.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 170511743
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
7-(dimethylamino)-4-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171387376
7-(dimethylamino)-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 169412411
6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171389319
(4S)-7-(dimethylamino)-4-[2-(3-methylphenyl)pyrimidin-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95135697
7-(dimethylamino)-4-[2-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 171385906
4-(4-acetyl-1-methylpyrrol-2-yl)-7-(dimethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 170502916
(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31615064
(9S)-9-[4-(dimethylamino)-2-ethoxyphenyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 146334645
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107

Frequently Asked Questions

What is the IUPAC name of (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 95127758) is (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is CN(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1cccc(CN2CCOCC2)c1.
What is the InChIKey of (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WYWYNKJQUKVXSC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24(2)18-6-7-19-20(14-22(26)23-21(19)13-18)17-5-3-4-16(12-17)15-25-8-10-27-11-9-25/h3-7,12-13,20H,8-11,14-15H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95127758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).