2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine

C24H21N3O — CID 15284382

IUPAC2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
SMILESCOc1ccc(N/C(N)=N/c2ccc3cccc4c3c2CC4)c2ccccc12
InChIInChI=1S/C24H21N3O/c1-28-22-14-13-20(17-7-2-3-8-18(17)22)26-24(25)27-21-12-10-16-6-4-5-15-9-11-19(21)23(15)16/h2-8,10,12-14H,9,11H2,1H3,(H3,25,26,27)
InChIKeySQMNXTBTJPUKHC-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.16
Rot. Bonds3

About 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine

2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine (PubChem CID 15284382) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
PubChem CID15284382
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
SMILESCOc1ccc(N/C(N)=N/c2ccc3cccc4c3c2CC4)c2ccccc12
InChIInChI=1S/C24H21N3O/c1-28-22-14-13-20(17-7-2-3-8-18(17)22)26-24(25)27-21-12-10-16-6-4-5-15-9-11-19(21)23(15)16/h2-8,10,12-14H,9,11H2,1H3,(H3,25,26,27)
InChIKeySQMNXTBTJPUKHC-UHFFFAOYSA-N
XLogP5.16
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxynaphthalen-1-yl)-1-naphthalen-1-ylguanidine
CID 142680141
1-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
CID 54131264
2-(2-aminonaphthalen-1-yl)-1-(1,2-dihydroacenaphthylen-5-yl)guanidine
CID 18751648
1,2-bis(1,2-dihydroacenaphthylen-3-yl)-1-methylguanidine
CID 18751836
N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
CID 5070082
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide
CID 100752361
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
CID 18466214
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-methoxynaphthalene-2-carboxamide
CID 1343934

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine (CID 15284382) is 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine is COc1ccc(N/C(N)=N/c2ccc3cccc4c3c2CC4)c2ccccc12.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine?
The InChIKey is SQMNXTBTJPUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-28-22-14-13-20(17-7-2-3-8-18(17)22)26-24(25)27-21-12-10-16-6-4-5-15-9-11-19(21)23(15)16/h2-8,10,12-14H,9,11H2,1H3,(H3,25,26,27).
What are the key properties of 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine?
2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine has a molecular weight of 367.45 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-3-yl)-1-(4-methoxynaphthalen-1-yl)guanidine is sourced from PubChem (CID 15284382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).