2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide

C34H26N2O — CID 102230878

IUPAC2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1C(c2cccc3ccccc23)CC1c1cccc2ccccc12
InChIInChI=1S/C34H26N2O/c37-34(36-31-19-7-13-24-14-8-20-35-33(24)31)32-29(27-17-5-11-22-9-1-3-15-25(22)27)21-30(32)28-18-6-12-23-10-2-4-16-26(23)28/h1-20,29-30,32H,21H2,(H,36,37)
InChIKeyIOZLLAQOXDAVJW-UHFFFAOYSA-N
MW478.60 g/mol
LogP8.07
Rot. Bonds4

About 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide

2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide (PubChem CID 102230878) has the molecular formula C34H26N2O and a molecular weight of 478.60 g/mol. Its IUPAC name is 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide
PubChem CID102230878
Molecular FormulaC34H26N2O
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC Name2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1C(c2cccc3ccccc23)CC1c1cccc2ccccc12
InChIInChI=1S/C34H26N2O/c37-34(36-31-19-7-13-24-14-8-20-35-33(24)31)32-29(27-17-5-11-22-9-1-3-15-25(22)27)21-30(32)28-18-6-12-23-10-2-4-16-26(23)28/h1-20,29-30,32H,21H2,(H,36,37)
InChIKeyIOZLLAQOXDAVJW-UHFFFAOYSA-N
XLogP8.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
(1R,2R,3R,4R)-3-(quinolin-8-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124766624
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
(1R,2R,3R,4R)-3-(quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 21014127
(3R,4R)-4-phenyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 175826709
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135997
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide?
The IUPAC name of 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide (CID 102230878) is 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide?
The canonical SMILES for 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide is O=C(Nc1cccc2cccnc12)C1C(c2cccc3ccccc23)CC1c1cccc2ccccc12.
What is the InChIKey of 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide?
The InChIKey is IOZLLAQOXDAVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O/c37-34(36-31-19-7-13-24-14-8-20-35-33(24)31)32-29(27-17-5-11-22-9-1-3-15-25(22)27)21-30(32)28-18-6-12-23-10-2-4-16-26(23)28/h1-20,29-30,32H,21H2,(H,36,37).
What are the key properties of 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide?
2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 8.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 102230878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).