3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline

C23H22Cl2N2 — CID 142330798

IUPAC3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline
SMILESCN1C(c2cnc3ccccc3c2)c2ccccc2CC1(C)CC=C(Cl)Cl
InChIInChI=1S/C23H22Cl2N2/c1-23(12-11-21(24)25)14-17-8-3-5-9-19(17)22(27(23)2)18-13-16-7-4-6-10-20(16)26-15-18/h3-11,13,15,22H,12,14H2,1-2H3
InChIKeyMVNLFGQREUUGSP-UHFFFAOYSA-N
MW397.35 g/mol
LogP6.28
Rot. Bonds3

About 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline

3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline (PubChem CID 142330798) has the molecular formula C23H22Cl2N2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline.

Molecular Properties

Compound Name3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline
PubChem CID142330798
Molecular FormulaC23H22Cl2N2
Molecular Weight397.35 g/mol
Exact Mass396.12
IUPAC Name3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline
SMILESCN1C(c2cnc3ccccc3c2)c2ccccc2CC1(C)CC=C(Cl)Cl
InChIInChI=1S/C23H22Cl2N2/c1-23(12-11-21(24)25)14-17-8-3-5-9-19(17)22(27(23)2)18-13-16-7-4-6-10-20(16)26-15-18/h3-11,13,15,22H,12,14H2,1-2H3
InChIKeyMVNLFGQREUUGSP-UHFFFAOYSA-N
XLogP6.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline with MolForge

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Related Compounds

2-hydroxy-3,3,4,4-tetramethyl-1-quinolin-3-yl-1H-isoquinoline
CID 69092915
(3,3-dimethyl-1-quinolin-3-yl-2,4-dihydro-1H-isoquinolin-5-yl)methanol
CID 23160849
2-hydroxy-3,3,4,4,6-pentamethyl-1-quinolin-3-yl-1H-isoquinoline
CID 69092650
3-quinolin-3-ylcyclobutan-1-amine
CID 116985150
2-quinolin-3-ylcyclopropane-1-carboxylic acid
CID 67290101
3-[(2S)-aziridin-2-yl]quinoline
CID 55263274
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
CID 124500175
3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline
CID 166437321
3-(4-ethylcyclohexyl)quinoline
CID 145078390
3-(1-butylpyrrolidin-2-yl)quinoline
CID 102543349
3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
CID 124500186
3,3-dimethyl-1-quinolin-3-yl-4H-quinolin-2-one
CID 71426612

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline?
The IUPAC name of 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline (CID 142330798) is 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline.
What is the SMILES notation for 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline?
The canonical SMILES for 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline is CN1C(c2cnc3ccccc3c2)c2ccccc2CC1(C)CC=C(Cl)Cl.
What is the InChIKey of 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline?
The InChIKey is MVNLFGQREUUGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2/c1-23(12-11-21(24)25)14-17-8-3-5-9-19(17)22(27(23)2)18-13-16-7-4-6-10-20(16)26-15-18/h3-11,13,15,22H,12,14H2,1-2H3.
What are the key properties of 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline?
3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline has a molecular weight of 397.35 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,3-dichloroprop-2-enyl)-2,3-dimethyl-1,4-dihydroisoquinolin-1-yl]quinoline is sourced from PubChem (CID 142330798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).