N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine

C26H22N2O — CID 139067256

IUPACN-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine
SMILESCCO[C@@H](Nc1cccc2cccnc12)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C26H22N2O/c1-2-29-26(28-23-15-7-11-18-12-8-16-27-25(18)23)24-21-13-5-3-9-19(21)17-20-10-4-6-14-22(20)24/h3-17,26,28H,2H2,1H3/t26-/m1/s1
InChIKeyLSABCIJBOTWZTJ-AREMUKBSSA-N
MW378.48 g/mol
LogP6.69
Rot. Bonds5

About N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine

N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine (PubChem CID 139067256) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine
PubChem CID139067256
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC NameN-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine
SMILESCCO[C@@H](Nc1cccc2cccnc12)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C26H22N2O/c1-2-29-26(28-23-15-7-11-18-12-8-16-27-25(18)23)24-21-13-5-3-9-19(21)17-20-10-4-6-14-22(20)24/h3-17,26,28H,2H2,1H3/t26-/m1/s1
InChIKeyLSABCIJBOTWZTJ-AREMUKBSSA-N
XLogP6.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine?
The IUPAC name of N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine (CID 139067256) is N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine.
What is the SMILES notation for N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine?
The canonical SMILES for N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine is CCO[C@@H](Nc1cccc2cccnc12)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine?
The InChIKey is LSABCIJBOTWZTJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22N2O/c1-2-29-26(28-23-15-7-11-18-12-8-16-27-25(18)23)24-21-13-5-3-9-19(21)17-20-10-4-6-14-22(20)24/h3-17,26,28H,2H2,1H3/t26-/m1/s1.
What are the key properties of N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine?
N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine has a molecular weight of 378.48 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-anthracen-9-yl(ethoxy)methyl]quinolin-8-amine is sourced from PubChem (CID 139067256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).