N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide

C25H17N3O3 — CID 7157915

IUPACN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide
SMILESCN1C(=O)c2cccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C1=O
InChIInChI=1S/C25H17N3O3/c1-28-24(30)17-11-7-13-20(22(17)25(28)31)27-23(29)18-14-21(15-8-3-2-4-9-15)26-19-12-6-5-10-16(18)19/h2-14H,1H3,(H,27,29)
InChIKeyVLFITYXDEDWOLX-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.38
Rot. Bonds3

About N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide

N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 7157915) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide
PubChem CID7157915
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide
SMILESCN1C(=O)c2cccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C1=O
InChIInChI=1S/C25H17N3O3/c1-28-24(30)17-11-7-13-20(22(17)25(28)31)27-23(29)18-14-21(15-8-3-2-4-9-15)26-19-12-6-5-10-16(18)19/h2-14H,1H3,(H,27,29)
InChIKeyVLFITYXDEDWOLX-UHFFFAOYSA-N
XLogP4.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 7157916
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 3635002
N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide
CID 51114321
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 51307625

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide (CID 7157915) is N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide is CN1C(=O)c2cccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is VLFITYXDEDWOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c1-28-24(30)17-11-7-13-20(22(17)25(28)31)27-23(29)18-14-21(15-8-3-2-4-9-15)26-19-12-6-5-10-16(18)19/h2-14H,1H3,(H,27,29).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 7157915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).