N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine

C24H23N3O3S — CID 170592723

IUPACN-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NSc2ccc(Oc3ccnc4c(OC)nccc34)cc2)cc1
InChIInChI=1S/C24H23N3O3S/c1-16(17-4-6-18(28-2)7-5-17)27-31-20-10-8-19(9-11-20)30-22-13-15-25-23-21(22)12-14-26-24(23)29-3/h4-16,27H,1-3H3
InChIKeyHTBCPZCMBYVKHZ-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.80
Rot. Bonds8

About N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine

N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 170592723) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine
PubChem CID170592723
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC NameN-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NSc2ccc(Oc3ccnc4c(OC)nccc34)cc2)cc1
InChIInChI=1S/C24H23N3O3S/c1-16(17-4-6-18(28-2)7-5-17)27-31-20-10-8-19(9-11-20)30-22-13-15-25-23-21(22)12-14-26-24(23)29-3/h4-16,27H,1-3H3
InChIKeyHTBCPZCMBYVKHZ-UHFFFAOYSA-N
XLogP5.80
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 170336010
1-[[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanylamino]propan-2-ol
CID 170592785
N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 168886837
CID 170415309
CID 170415309
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 10050530
2-methoxy-N-(4-methoxyphenyl)sulfanyl-5-propan-2-ylpyridin-3-amine
CID 144901491
N-[1-(4-methoxyphenyl)ethyl]quinolin-8-amine
CID 43191660
4-(4-methylsulfanylphenoxy)quinolin-8-amine
CID 83060179
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886716
(4-methoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 22934973

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine (CID 170592723) is N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(C)NSc2ccc(Oc3ccnc4c(OC)nccc34)cc2)cc1.
What is the InChIKey of N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is HTBCPZCMBYVKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16(17-4-6-18(28-2)7-5-17)27-31-20-10-8-19(9-11-20)30-22-13-15-25-23-21(22)12-14-26-24(23)29-3/h4-16,27H,1-3H3.
What are the key properties of N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine?
N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 433.53 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-methoxy-1,7-naphthyridin-4-yl)oxy]phenyl]sulfanyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 170592723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).