7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C21H21N3O3 — CID 95219462

IUPAC7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)[C@@H](c1ccccn1)C1CC1
InChIInChI=1S/C21H21N3O3/c1-24(20(13-5-6-13)16-4-2-3-7-22-16)11-15-8-14-9-18-19(27-12-26-18)10-17(14)23-21(15)25/h2-4,7-10,13,20H,5-6,11-12H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyVJXMPOSNSPDGMB-HXUWFJFHSA-N
MW363.42 g/mol
LogP3.23
Rot. Bonds5

About 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 95219462) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID95219462
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)[C@@H](c1ccccn1)C1CC1
InChIInChI=1S/C21H21N3O3/c1-24(20(13-5-6-13)16-4-2-3-7-22-16)11-15-8-14-9-18-19(27-12-26-18)10-17(14)23-21(15)25/h2-4,7-10,13,20H,5-6,11-12H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyVJXMPOSNSPDGMB-HXUWFJFHSA-N
XLogP3.23
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one with MolForge

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Related Compounds

3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one
CID 95216100
7-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56711742
7-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56720422
7-[[2-hydroxyethyl(methyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 91823152
8-chloro-2-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109748
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-1-cyclopropyl-N-methyl-1-pyridin-2-ylmethanamine;dihydrochloride
CID 154912594
N-cyclopentyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]pyridine-4-carboxamide
CID 23913655
2-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 82048474
1-[2-(dimethylamino)ethyl]-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-3-phenylurea
CID 3194971
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3865539
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 3865537
7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 56721286

Frequently Asked Questions

What is the IUPAC name of 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 95219462) is 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)[C@@H](c1ccccn1)C1CC1.
What is the InChIKey of 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is VJXMPOSNSPDGMB-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-24(20(13-5-6-13)16-4-2-3-7-22-16)11-15-8-14-9-18-19(27-12-26-18)10-17(14)23-21(15)25/h2-4,7-10,13,20H,5-6,11-12H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 363.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 95219462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).