[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone

C22H21N3O3 — CID 10068065

IUPAC[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
SMILESCN(C)/C=C/c1c(C(=O)c2ncccc2C2OCCO2)cnc2ccccc12
InChIInChI=1S/C22H21N3O3/c1-25(2)11-9-15-16-6-3-4-8-19(16)24-14-18(15)21(26)20-17(7-5-10-23-20)22-27-12-13-28-22/h3-11,14,22H,12-13H2,1-2H3/b11-9+
InChIKeyTXWOPIYXJHZUND-PKNBQFBNSA-N
MW375.43 g/mol
LogP3.44
Rot. Bonds5

About [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone

[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone (PubChem CID 10068065) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
PubChem CID10068065
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone
SMILESCN(C)/C=C/c1c(C(=O)c2ncccc2C2OCCO2)cnc2ccccc12
InChIInChI=1S/C22H21N3O3/c1-25(2)11-9-15-16-6-3-4-8-19(16)24-14-18(15)21(26)20-17(7-5-10-23-20)22-27-12-13-28-22/h3-11,14,22H,12-13H2,1-2H3/b11-9+
InChIKeyTXWOPIYXJHZUND-PKNBQFBNSA-N
XLogP3.44
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The IUPAC name of [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone (CID 10068065) is [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone is CN(C)/C=C/c1c(C(=O)c2ncccc2C2OCCO2)cnc2ccccc12.
What is the InChIKey of [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
The InChIKey is TXWOPIYXJHZUND-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-25(2)11-9-15-16-6-3-4-8-19(16)24-14-18(15)21(26)20-17(7-5-10-23-20)22-27-12-13-28-22/h3-11,14,22H,12-13H2,1-2H3/b11-9+.
What are the key properties of [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone?
[4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone has a molecular weight of 375.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-(dimethylamino)ethenyl]quinolin-3-yl]-[3-(1,3-dioxolan-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 10068065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).