4-naphthalen-1-ylisoquinoline-1-carbaldehyde

C20H13NO — CID 174968926

IUPAC4-naphthalen-1-ylisoquinoline-1-carbaldehyde
SMILESO=Cc1ncc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C20H13NO/c22-13-20-18-10-4-3-9-17(18)19(12-21-20)16-11-5-7-14-6-1-2-8-15(14)16/h1-13H
InChIKeyUDDRAVDXRSDICI-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.87
Rot. Bonds2

About 4-naphthalen-1-ylisoquinoline-1-carbaldehyde

4-naphthalen-1-ylisoquinoline-1-carbaldehyde (PubChem CID 174968926) has the molecular formula C20H13NO and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-naphthalen-1-ylisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name4-naphthalen-1-ylisoquinoline-1-carbaldehyde
PubChem CID174968926
Molecular FormulaC20H13NO
Molecular Weight283.33 g/mol
Exact Mass283.10
IUPAC Name4-naphthalen-1-ylisoquinoline-1-carbaldehyde
SMILESO=Cc1ncc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C20H13NO/c22-13-20-18-10-4-3-9-17(18)19(12-21-20)16-11-5-7-14-6-1-2-8-15(14)16/h1-13H
InChIKeyUDDRAVDXRSDICI-UHFFFAOYSA-N
XLogP4.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-naphthalen-1-ylpyridine-3-carbaldehyde
CID 86720518
hydron;isoquinoline-1-carbaldehyde
CID 174514236
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2-naphthalen-1-yl-6-phenylbenzaldehyde
CID 90885229
2-methoxy-3-naphthalen-1-ylbenzaldehyde
CID 10879893
diphenylphosphane;1-naphthalen-1-ylnaphthalene
CID 69376174
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylisoquinoline-1-carbaldehyde?
The IUPAC name of 4-naphthalen-1-ylisoquinoline-1-carbaldehyde (CID 174968926) is 4-naphthalen-1-ylisoquinoline-1-carbaldehyde.
What is the SMILES notation for 4-naphthalen-1-ylisoquinoline-1-carbaldehyde?
The canonical SMILES for 4-naphthalen-1-ylisoquinoline-1-carbaldehyde is O=Cc1ncc(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 4-naphthalen-1-ylisoquinoline-1-carbaldehyde?
The InChIKey is UDDRAVDXRSDICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO/c22-13-20-18-10-4-3-9-17(18)19(12-21-20)16-11-5-7-14-6-1-2-8-15(14)16/h1-13H.
What are the key properties of 4-naphthalen-1-ylisoquinoline-1-carbaldehyde?
4-naphthalen-1-ylisoquinoline-1-carbaldehyde has a molecular weight of 283.33 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylisoquinoline-1-carbaldehyde is sourced from PubChem (CID 174968926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).