7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide

C22H23N3O3 — CID 71565593

IUPAC7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide
SMILESCC1CC=C(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1
InChIInChI=1S/C22H23N3O3/c1-13-2-5-15(6-3-13)17-11-19(22(23)28)24-18-10-14(4-7-16(17)18)12-25-20(26)8-9-21(25)27/h4-5,7,10-11,13H,2-3,6,8-9,12H2,1H3,(H2,23,28)
InChIKeyPQQJZVOILCUNMH-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.19
Rot. Bonds4

About 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide

7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide (PubChem CID 71565593) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide
PubChem CID71565593
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide
SMILESCC1CC=C(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1
InChIInChI=1S/C22H23N3O3/c1-13-2-5-15(6-3-13)17-11-19(22(23)28)24-18-10-14(4-7-16(17)18)12-25-20(26)8-9-21(25)27/h4-5,7,10-11,13H,2-3,6,8-9,12H2,1H3,(H2,23,28)
InChIKeyPQQJZVOILCUNMH-UHFFFAOYSA-N
XLogP3.19
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide?
The IUPAC name of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide (CID 71565593) is 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide is CC1CC=C(c2cc(C(N)=O)nc3cc(CN4C(=O)CCC4=O)ccc23)CC1.
What is the InChIKey of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide?
The InChIKey is PQQJZVOILCUNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-2-5-15(6-3-13)17-11-19(22(23)28)24-18-10-14(4-7-16(17)18)12-25-20(26)8-9-21(25)27/h4-5,7,10-11,13H,2-3,6,8-9,12H2,1H3,(H2,23,28).
What are the key properties of 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide?
7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-(4-methylcyclohexen-1-yl)quinoline-2-carboxamide is sourced from PubChem (CID 71565593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).