5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one

C22H22ClN3O3 — CID 42485037

IUPAC5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESC=C(Cl)Cn1c(=O)c(CN(C)CCc2ccccn2)cc2cc3c(cc21)OCO3
InChIInChI=1S/C22H22ClN3O3/c1-15(23)12-26-19-11-21-20(28-14-29-21)10-16(19)9-17(22(26)27)13-25(2)8-6-18-5-3-4-7-24-18/h3-5,7,9-11H,1,6,8,12-14H2,2H3
InChIKeyQLNVTFHQJUTGBK-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.55
Rot. Bonds7

About 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one

5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 42485037) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID42485037
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESC=C(Cl)Cn1c(=O)c(CN(C)CCc2ccccn2)cc2cc3c(cc21)OCO3
InChIInChI=1S/C22H22ClN3O3/c1-15(23)12-26-19-11-21-20(28-14-29-21)10-16(19)9-17(22(26)27)13-25(2)8-6-18-5-3-4-7-24-18/h3-5,7,9-11H,1,6,8,12-14H2,2H3
InChIKeyQLNVTFHQJUTGBK-UHFFFAOYSA-N
XLogP3.55
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one with MolForge

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Launch Full Analysis

Related Compounds

7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42162824
4-chloro-2,6-bis[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenol
CID 139202506
N-[(2-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 779150
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
CID 56723183
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-methylsulfanyl-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 42485422
1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 65212670
N-[(3,5-dichloro-2-pyridinyl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 75517351
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-yl]methanol
CID 113372422
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 42724828
5-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573613

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 42485037) is 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one is C=C(Cl)Cn1c(=O)c(CN(C)CCc2ccccn2)cc2cc3c(cc21)OCO3.
What is the InChIKey of 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is QLNVTFHQJUTGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-15(23)12-26-19-11-21-20(28-14-29-21)10-16(19)9-17(22(26)27)13-25(2)8-6-18-5-3-4-7-24-18/h3-5,7,9-11H,1,6,8,12-14H2,2H3.
What are the key properties of 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one?
5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 411.89 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 42485037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).