2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate

C20H22N2O2 — CID 91944269

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate
SMILESCc1ccc(C=CC(=O)OCCN2CCCc3ccccc32)cn1
InChIInChI=1S/C20H22N2O2/c1-16-8-9-17(15-21-16)10-11-20(23)24-14-13-22-12-4-6-18-5-2-3-7-19(18)22/h2-3,5,7-11,15H,4,6,12-14H2,1H3
InChIKeyLZVIGOCQFXKBSN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.40
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate

2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate (PubChem CID 91944269) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate
PubChem CID91944269
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate
SMILESCc1ccc(C=CC(=O)OCCN2CCCc3ccccc32)cn1
InChIInChI=1S/C20H22N2O2/c1-16-8-9-17(15-21-16)10-11-20(23)24-14-13-22-12-4-6-18-5-2-3-7-19(18)22/h2-3,5,7-11,15H,4,6,12-14H2,1H3
InChIKeyLZVIGOCQFXKBSN-UHFFFAOYSA-N
XLogP3.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)ethoxy]phenyl]acetamide
CID 71912035
2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate
CID 75418643
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbutan-2-ol
CID 79316472
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
(Z)-3-(3-amino-4-ethoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 94760311
2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 71925864
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 3875644
3-(3,4-diethoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 1178477
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029285
(E)-4-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbut-2-enoic acid
CID 55236328

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate (CID 91944269) is 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate is Cc1ccc(C=CC(=O)OCCN2CCCc3ccccc32)cn1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate?
The InChIKey is LZVIGOCQFXKBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-16-8-9-17(15-21-16)10-11-20(23)24-14-13-22-12-4-6-18-5-2-3-7-19(18)22/h2-3,5,7-11,15H,4,6,12-14H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate?
2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate has a molecular weight of 322.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl 3-(6-methyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 91944269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).