N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide

C26H29N3O3 — CID 110562563

IUPACN-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
SMILESCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C26H29N3O3/c1-3-4-7-16-29-25(31)23(20-12-14-21(15-13-20)27-18(2)30)24(26(29)32)28-17-8-10-19-9-5-6-11-22(19)28/h5-6,9,11-15H,3-4,7-8,10,16-17H2,1-2H3,(H,27,30)
InChIKeyYPXQJNVMZWZOAU-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.37
Rot. Bonds7

About N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide

N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide (PubChem CID 110562563) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
PubChem CID110562563
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
SMILESCCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCCc3ccccc32)C1=O
InChIInChI=1S/C26H29N3O3/c1-3-4-7-16-29-25(31)23(20-12-14-21(15-13-20)27-18(2)30)24(26(29)32)28-17-8-10-19-9-5-6-11-22(19)28/h5-6,9,11-15H,3-4,7-8,10,16-17H2,1-2H3,(H,27,30)
InChIKeyYPXQJNVMZWZOAU-UHFFFAOYSA-N
XLogP4.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562565
1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560027
N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562551
1-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546556
3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
CID 110559989
N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562986
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(3,4-dimethylphenyl)-1-propylpyrrole-2,5-dione
CID 110548869
N-[4-[1-butyl-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562585
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-nitrophenyl)-1-propylpyrrole-2,5-dione
CID 110541325
3-(3,4-dihydro-2H-quinolin-1-yl)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566334
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-hexylpyrrole-2,5-dione
CID 110578990
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide (CID 110562563) is N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide is CCCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCCc3ccccc32)C1=O.
What is the InChIKey of N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide?
The InChIKey is YPXQJNVMZWZOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-4-7-16-29-25(31)23(20-12-14-21(15-13-20)27-18(2)30)24(26(29)32)28-17-8-10-19-9-5-6-11-22(19)28/h5-6,9,11-15H,3-4,7-8,10,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).