2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide

C23H15N5O4 — CID 169327838

IUPAC2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)nc2ccccc12
InChIInChI=1S/C23H15N5O4/c24-20-19-15(22(31)27-23(19)32)10-18(29)28(20)12-7-5-11(6-8-12)17-9-14(21(25)30)13-3-1-2-4-16(13)26-17/h1-10H,24H2,(H2,25,30)(H,27,31,32)
InChIKeyBZDIGFQDZIRSDL-UHFFFAOYSA-N
MW425.40 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide

2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide (PubChem CID 169327838) has the molecular formula C23H15N5O4 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide
PubChem CID169327838
Molecular FormulaC23H15N5O4
Molecular Weight425.40 g/mol
Exact Mass425.11
IUPAC Name2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)nc2ccccc12
InChIInChI=1S/C23H15N5O4/c24-20-19-15(22(31)27-23(19)32)10-18(29)28(20)12-7-5-11(6-8-12)17-9-14(21(25)30)13-3-1-2-4-16(13)26-17/h1-10H,24H2,(H2,25,30)(H,27,31,32)
InChIKeyBZDIGFQDZIRSDL-UHFFFAOYSA-N
XLogP1.62
TPSA150.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide with MolForge

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Related Compounds

4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328181
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-(4-isocyanatophenyl)quinoline-4-carboxamide
CID 169352677
methyl 3-amino-1-[4-(4-carbamoylquinolin-2-yl)phenyl]-4-cyanopyrrole-2-carboxylate
CID 168546636
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
1-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]piperidine-3-carboxylic acid
CID 169330823
2-(1H-pyrrol-2-yl)quinoline-4-carboxamide
CID 175947140
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide (CID 169327838) is 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide is NC(=O)c1cc(-c2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2)nc2ccccc12.
What is the InChIKey of 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide?
The InChIKey is BZDIGFQDZIRSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O4/c24-20-19-15(22(31)27-23(19)32)10-18(29)28(20)12-7-5-11(6-8-12)17-9-14(21(25)30)13-3-1-2-4-16(13)26-17/h1-10H,24H2,(H2,25,30)(H,27,31,32).
What are the key properties of 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide?
2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide has a molecular weight of 425.40 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 169327838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).