1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H17NO3 — CID 110602501

IUPAC1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C18H17NO3/c1-12-8-13-4-2-3-5-15(13)19(10-12)18(20)14-6-7-16-17(9-14)22-11-21-16/h2-7,9,12H,8,10-11H2,1H3
InChIKeyXNJWVOUQVYVNNP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.25
Rot. Bonds1

About 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110602501) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110602501
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C18H17NO3/c1-12-8-13-4-2-3-5-15(13)19(10-12)18(20)14-6-7-16-17(9-14)22-11-21-16/h2-7,9,12H,8,10-11H2,1H3
InChIKeyXNJWVOUQVYVNNP-UHFFFAOYSA-N
XLogP3.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110662954
1-[(2S)-4-(1,3-benzodioxole-5-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079482
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110609295
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
CID 104607589
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea
CID 95335952
(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
3-(dimethylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-yn-1-one
CID 166787642
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607868

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110602501) is 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2ccccc2N(C(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is XNJWVOUQVYVNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-8-13-4-2-3-5-15(13)19(10-12)18(20)14-6-7-16-17(9-14)22-11-21-16/h2-7,9,12H,8,10-11H2,1H3.
What are the key properties of 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 295.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110602501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).