prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate

C19H23NO3 — CID 143246783

IUPACprop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
SMILESC=CCOC(=O)c1c(C)nc2c(c1C1CC1)C(=O)CC(C)(C)C2
InChIInChI=1S/C19H23NO3/c1-5-8-23-18(22)15-11(2)20-13-9-19(3,4)10-14(21)17(13)16(15)12-6-7-12/h5,12H,1,6-10H2,2-4H3
InChIKeyRFNXKMYNRAETNX-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.77
Rot. Bonds4

About prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate

prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate (PubChem CID 143246783) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
PubChem CID143246783
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Nameprop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
SMILESC=CCOC(=O)c1c(C)nc2c(c1C1CC1)C(=O)CC(C)(C)C2
InChIInChI=1S/C19H23NO3/c1-5-8-23-18(22)15-11(2)20-13-9-19(3,4)10-14(21)17(13)16(15)12-6-7-12/h5,12H,1,6-10H2,2-4H3
InChIKeyRFNXKMYNRAETNX-UHFFFAOYSA-N
XLogP3.77
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate?
The IUPAC name of prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate (CID 143246783) is prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate.
What is the SMILES notation for prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate?
The canonical SMILES for prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate is C=CCOC(=O)c1c(C)nc2c(c1C1CC1)C(=O)CC(C)(C)C2.
What is the InChIKey of prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate?
The InChIKey is RFNXKMYNRAETNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-8-23-18(22)15-11(2)20-13-9-19(3,4)10-14(21)17(13)16(15)12-6-7-12/h5,12H,1,6-10H2,2-4H3.
What are the key properties of prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate?
prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-cyclopropyl-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 143246783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).