(4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one

C15H21ClN2O — CID 40541661

IUPAC(4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1CC(=O)N(CCCN(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2O/c1-11-9-15(19)18(8-4-7-17(2)3)14-6-5-12(16)10-13(11)14/h5-6,10-11H,4,7-9H2,1-3H3/t11-/m1/s1
InChIKeyLYVQJXHLQNIKIG-LLVKDONJSA-N
MW280.80 g/mol
LogP3.13
Rot. Bonds4

About (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one

(4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one (PubChem CID 40541661) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one
PubChem CID40541661
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one
SMILESC[C@@H]1CC(=O)N(CCCN(C)C)c2ccc(Cl)cc21
InChIInChI=1S/C15H21ClN2O/c1-11-9-15(19)18(8-4-7-17(2)3)14-6-5-12(16)10-13(11)14/h5-6,10-11H,4,7-9H2,1-3H3/t11-/m1/s1
InChIKeyLYVQJXHLQNIKIG-LLVKDONJSA-N
XLogP3.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1-[3-(dimethylamino)propyl]-3-propa-1,2-dienyl-3H-indol-2-one
CID 175274726
3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
CID 129318631
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
2-(2,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 3792861
2-chloro-5-[3-(dimethylamino)propyl]-11H-benzo[b][1,4]benzodiazepin-6-one
CID 14409
9-chloro-5-[3-(dimethylamino)propyl]-2-phenyl-2λ4-thia-3,5-diazabicyclo[4.4.0]deca-1(6),2,7,9-tetraen-4-one
CID 70637882
3-(7-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 139362521
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 16080
4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 166375464
4-[3-(dimethylamino)propyl]-1,4-benzoxazin-3-one
CID 117007291
4-methyl-1-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 19898965
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one (CID 40541661) is (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one is C[C@@H]1CC(=O)N(CCCN(C)C)c2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is LYVQJXHLQNIKIG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-9-15(19)18(8-4-7-17(2)3)14-6-5-12(16)10-13(11)14/h5-6,10-11H,4,7-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one?
(4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 280.80 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-1-[3-(dimethylamino)propyl]-4-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 40541661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).