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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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).