(3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde

C19H13N3O2 — CID 58044829

IUPAC(3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde
SMILESO=Cc1ccc2cc3c(cc2n1)C[C@@]1(C3)C(=O)Nc2ncccc21
InChIInChI=1S/C19H13N3O2/c23-10-14-4-3-11-6-12-8-19(9-13(12)7-16(11)21-14)15-2-1-5-20-17(15)22-18(19)24/h1-7,10H,8-9H2,(H,20,22,24)/t19-/m1/s1
InChIKeyAZUKIFKSAYLCFE-LJQANCHMSA-N
MW315.33 g/mol
LogP2.43
Rot. Bonds1

About (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde

(3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde (PubChem CID 58044829) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde.

Molecular Properties

Compound Name(3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde
PubChem CID58044829
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name(3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde
SMILESO=Cc1ccc2cc3c(cc2n1)C[C@@]1(C3)C(=O)Nc2ncccc21
InChIInChI=1S/C19H13N3O2/c23-10-14-4-3-11-6-12-8-19(9-13(12)7-16(11)21-14)15-2-1-5-20-17(15)22-18(19)24/h1-7,10H,8-9H2,(H,20,22,24)/t19-/m1/s1
InChIKeyAZUKIFKSAYLCFE-LJQANCHMSA-N
XLogP2.43
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2'-tert-butylspiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 58026269
2'-(3-phenylphenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 16736806
2'-[4-(4-hydroxyphenyl)butyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 59594343
5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 59166722
(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)azanide;rubidium(1+)
CID 59166744
2'-[(1H-indazol-5-ylamino)methyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
CID 16736208
(3R)-spiro[1H-pyrrolo[2,3-b]pyridine-3,5'-4,6-dihydrocyclopenta[b]thiophene]-2-one
CID 175969352
7-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,8,10-tetraene-3,6-dione
CID 23581952
(3S)-3'-iodospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 58118681
(3R)-3'-aminospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 66864917
3'-methylspiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CID 123217091
5-[hydroxy(methoxy)methyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 123788239

Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde?
The IUPAC name of (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde (CID 58044829) is (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde.
What is the SMILES notation for (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde?
The canonical SMILES for (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde is O=Cc1ccc2cc3c(cc2n1)C[C@@]1(C3)C(=O)Nc2ncccc21.
What is the InChIKey of (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde?
The InChIKey is AZUKIFKSAYLCFE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-10-14-4-3-11-6-12-8-19(9-13(12)7-16(11)21-14)15-2-1-5-20-17(15)22-18(19)24/h1-7,10H,8-9H2,(H,20,22,24)/t19-/m1/s1.
What are the key properties of (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde?
(3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde has a molecular weight of 315.33 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-carbaldehyde is sourced from PubChem (CID 58044829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).