1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine

C25H24N2O3S — CID 168886794

IUPAC1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
SMILESCOc1ccc(C(C)NSc2ccc(Oc3ccnc4cc(OC)ccc34)cc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17(18-4-6-19(28-2)7-5-18)27-31-22-11-8-20(9-12-22)30-25-14-15-26-24-16-21(29-3)10-13-23(24)25/h4-17,27H,1-3H3
InChIKeyBLPSBGCILXBMSN-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.40
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine

1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine (PubChem CID 168886794) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
PubChem CID168886794
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
SMILESCOc1ccc(C(C)NSc2ccc(Oc3ccnc4cc(OC)ccc34)cc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-17(18-4-6-19(28-2)7-5-18)27-31-22-11-8-20(9-12-22)30-25-14-15-26-24-16-21(29-3)10-13-23(24)25/h4-17,27H,1-3H3
InChIKeyBLPSBGCILXBMSN-UHFFFAOYSA-N
XLogP6.40
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 168886837
N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 170592723
1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886716
4,7-dimethoxyquinoline
CID 20743716
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 10050530
(2R)-1-[[N-[(1R)-1-(4-methoxyphenyl)ethyl]-S-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-2-ol
CID 168886681
7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine
CID 168886641
7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
CID 59730748
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703
3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
CID 168886816

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine (CID 168886794) is 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine is COc1ccc(C(C)NSc2ccc(Oc3ccnc4cc(OC)ccc34)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine?
The InChIKey is BLPSBGCILXBMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17(18-4-6-19(28-2)7-5-18)27-31-22-11-8-20(9-12-22)30-25-14-15-26-24-16-21(29-3)10-13-23(24)25/h4-17,27H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine?
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine has a molecular weight of 432.55 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine is sourced from PubChem (CID 168886794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).