(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one

C20H19NO3 — CID 7464490

IUPAC(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one
SMILESCc1ccc2c(c1)C(=O)O[C@@H](C(=O)N1CCCc3ccccc31)C2
InChIInChI=1S/C20H19NO3/c1-13-8-9-15-12-18(24-20(23)16(15)11-13)19(22)21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11,18H,4,6,10,12H2,1H3/t18-/m1/s1
InChIKeyYLQQJOBNXXUXSG-GOSISDBHSA-N
MW321.38 g/mol
LogP3.06
Rot. Bonds1

About (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one

(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one (PubChem CID 7464490) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one
PubChem CID7464490
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one
SMILESCc1ccc2c(c1)C(=O)O[C@@H](C(=O)N1CCCc3ccccc31)C2
InChIInChI=1S/C20H19NO3/c1-13-8-9-15-12-18(24-20(23)16(15)11-13)19(22)21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11,18H,4,6,10,12H2,1H3/t18-/m1/s1
InChIKeyYLQQJOBNXXUXSG-GOSISDBHSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
CID 142386717
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 120793074
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 3242452
(3S)-3-(chloromethyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 134953032
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
2-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976101
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 110689141
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
CID 2999350
methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 42890375
1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 8900102

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one?
The IUPAC name of (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one (CID 7464490) is (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one.
What is the SMILES notation for (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one?
The canonical SMILES for (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one is Cc1ccc2c(c1)C(=O)O[C@@H](C(=O)N1CCCc3ccccc31)C2.
What is the InChIKey of (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one?
The InChIKey is YLQQJOBNXXUXSG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-8-9-15-12-18(24-20(23)16(15)11-13)19(22)21-10-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,11,18H,4,6,10,12H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one?
(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one has a molecular weight of 321.38 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 7464490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).