N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide

C16H16N6O3S — CID 143881449

IUPACN-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide
SMILESCNc1c(Oc2ccc(NS(N)=O)c3ncccc23)ccnc1NC=O
InChIInChI=1S/C16H16N6O3S/c1-18-15-13(6-8-20-16(15)21-9-23)25-12-5-4-11(22-26(17)24)14-10(12)3-2-7-19-14/h2-9,18,22H,17H2,1H3,(H,20,21,23)
InChIKeyVQUFKBDLCIZVET-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.98
Rot. Bonds7

About N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide

N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide (PubChem CID 143881449) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide
PubChem CID143881449
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide
SMILESCNc1c(Oc2ccc(NS(N)=O)c3ncccc23)ccnc1NC=O
InChIInChI=1S/C16H16N6O3S/c1-18-15-13(6-8-20-16(15)21-9-23)25-12-5-4-11(22-26(17)24)14-10(12)3-2-7-19-14/h2-9,18,22H,17H2,1H3,(H,20,21,23)
InChIKeyVQUFKBDLCIZVET-UHFFFAOYSA-N
XLogP1.98
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide?
The IUPAC name of N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide (CID 143881449) is N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide.
What is the SMILES notation for N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide?
The canonical SMILES for N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide is CNc1c(Oc2ccc(NS(N)=O)c3ncccc23)ccnc1NC=O.
What is the InChIKey of N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide?
The InChIKey is VQUFKBDLCIZVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-18-15-13(6-8-20-16(15)21-9-23)25-12-5-4-11(22-26(17)24)14-10(12)3-2-7-19-14/h2-9,18,22H,17H2,1H3,(H,20,21,23).
What are the key properties of N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide?
N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide has a molecular weight of 372.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)-4-[8-(sulfinamoylamino)quinolin-5-yl]oxy-2-pyridinyl]formamide is sourced from PubChem (CID 143881449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).