1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H19NO4 — CID 110662954

IUPAC1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc3c(c1)OCO3)CC(C)C2
InChIInChI=1S/C19H19NO4/c1-12-7-13-3-5-15(22-2)9-16(13)20(10-12)19(21)14-4-6-17-18(8-14)24-11-23-17/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyGRLSVCCHYPVZGF-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.26
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110662954) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110662954
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc3c(c1)OCO3)CC(C)C2
InChIInChI=1S/C19H19NO4/c1-12-7-13-3-5-15(22-2)9-16(13)20(10-12)19(21)14-4-6-17-18(8-14)24-11-23-17/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyGRLSVCCHYPVZGF-UHFFFAOYSA-N
XLogP3.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110602501
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-one
CID 110662965
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663004
(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
CID 110662984
cyclopentyl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110662971
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110662993
1-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110662982
3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607868
1-[(2S)-4-(1,3-benzodioxole-5-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079482
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255153
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
CID 110369613
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110662954) is 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)N(C(=O)c1ccc3c(c1)OCO3)CC(C)C2.
What is the InChIKey of 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is GRLSVCCHYPVZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-7-13-3-5-15(22-2)9-16(13)20(10-12)19(21)14-4-6-17-18(8-14)24-11-23-17/h3-6,8-9,12H,7,10-11H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 325.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110662954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).