1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C26H28N2O3 — CID 16598426

IUPAC1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1CCCN2Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C26H28N2O3/c1-16(2)27-26(30)21-8-4-10-23-20(21)9-5-11-28(23)15-19-14-25(29)31-24-13-18-7-3-6-17(18)12-22(19)24/h4,8,10,12-14,16H,3,5-7,9,11,15H2,1-2H3,(H,27,30)
InChIKeyFHOBLUVHOQKWCU-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.37
Rot. Bonds4

About 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 16598426) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID16598426
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1CCCN2Cc1cc(=O)oc2cc3c(cc12)CCC3
InChIInChI=1S/C26H28N2O3/c1-16(2)27-26(30)21-8-4-10-23-20(21)9-5-11-28(23)15-19-14-25(29)31-24-13-18-7-3-6-17(18)12-22(19)24/h4,8,10,12-14,16H,3,5-7,9,11,15H2,1-2H3,(H,27,30)
InChIKeyFHOBLUVHOQKWCU-UHFFFAOYSA-N
XLogP4.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 16598426) is 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is CC(C)NC(=O)c1cccc2c1CCCN2Cc1cc(=O)oc2cc3c(cc12)CCC3.
What is the InChIKey of 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is FHOBLUVHOQKWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-16(2)27-26(30)21-8-4-10-23-20(21)9-5-11-28(23)15-19-14-25(29)31-24-13-18-7-3-6-17(18)12-22(19)24/h4,8,10,12-14,16H,3,5-7,9,11,15H2,1-2H3,(H,27,30).
What are the key properties of 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 16598426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).