8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione

C24H15NO4 — CID 162767300

IUPAC8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione
SMILESCOC1=CC(=O)c2c(cc3cccn3c2C(=O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C24H15NO4/c1-29-20-13-19(26)21-18(24(20)28)12-17-7-4-10-25(17)22(21)23(27)16-9-8-14-5-2-3-6-15(14)11-16/h2-13H,1H3
InChIKeyKYVQTJLBIDBPRC-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.23
Rot. Bonds3

About 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione

8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione (PubChem CID 162767300) has the molecular formula C24H15NO4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione.

Molecular Properties

Compound Name8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione
PubChem CID162767300
Molecular FormulaC24H15NO4
Molecular Weight381.39 g/mol
Exact Mass381.10
IUPAC Name8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione
SMILESCOC1=CC(=O)c2c(cc3cccn3c2C(=O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C24H15NO4/c1-29-20-13-19(26)21-18(24(20)28)12-17-7-4-10-25(17)22(21)23(27)16-9-8-14-5-2-3-6-15(14)11-16/h2-13H,1H3
InChIKeyKYVQTJLBIDBPRC-UHFFFAOYSA-N
XLogP4.23
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone
CID 4067347
dinaphthalen-2-ylmethanone
CID 10945915
(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 2359773
5,10-dihydroxy-2-methoxy-6-methylanthracene-1,4-dione
CID 625049
(2-methylindolizin-3-yl)-(4-phenoxyphenyl)methanone
CID 2326958
2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione
CID 57333081
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401
2-tert-butyl-2-[3-(4-methoxybenzoyl)indolizin-2-yl]-4,4-dimethyl-3-oxopentanoic acid
CID 66993154
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
N,N-bis(4-methoxyphenyl)naphthalene-2-carboxamide
CID 129035097
methyl 3-naphthalen-2-ylbut-2-enoate
CID 54449907

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione?
The IUPAC name of 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione (CID 162767300) is 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione.
What is the SMILES notation for 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione?
The canonical SMILES for 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione is COC1=CC(=O)c2c(cc3cccn3c2C(=O)c2ccc3ccccc3c2)C1=O.
What is the InChIKey of 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione?
The InChIKey is KYVQTJLBIDBPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NO4/c1-29-20-13-19(26)21-18(24(20)28)12-17-7-4-10-25(17)22(21)23(27)16-9-8-14-5-2-3-6-15(14)11-16/h2-13H,1H3.
What are the key properties of 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione?
8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione has a molecular weight of 381.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione is sourced from PubChem (CID 162767300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).