propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C23H23NO5 — CID 2874334

IUPACpropan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H23NO5/c1-12(2)29-23(27)19-13(3)24-16-8-6-9-17(25)21(16)20(19)15-11-28-18-10-5-4-7-14(18)22(15)26/h4-5,7,10-12,20,24H,6,8-9H2,1-3H3
InChIKeyAJWMGZLTAAAEMT-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.71
Rot. Bonds3

About propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 2874334) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID2874334
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Namepropan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1
InChIInChI=1S/C23H23NO5/c1-12(2)29-23(27)19-13(3)24-16-8-6-9-17(25)21(16)20(19)15-11-28-18-10-5-4-7-14(18)22(15)26/h4-5,7,10-12,20,24H,6,8-9H2,1-3H3
InChIKeyAJWMGZLTAAAEMT-UHFFFAOYSA-N
XLogP3.71
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 2874334) is propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CC1=C(C(=O)OC(C)C)C(c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1.
What is the InChIKey of propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is AJWMGZLTAAAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-12(2)29-23(27)19-13(3)24-16-8-6-9-17(25)21(16)20(19)15-11-28-18-10-5-4-7-14(18)22(15)26/h4-5,7,10-12,20,24H,6,8-9H2,1-3H3.
What are the key properties of propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2874334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).