7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline

C20H28N4O4S — CID 155137804

IUPAC7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
SMILESCCC(CNS(N)(=O)=O)C1CCN(c2ccnc3cc(C=O)c(OC)cc23)CC1
InChIInChI=1S/C20H28N4O4S/c1-3-14(12-23-29(21,26)27)15-5-8-24(9-6-15)19-4-7-22-18-10-16(13-25)20(28-2)11-17(18)19/h4,7,10-11,13-15,23H,3,5-6,8-9,12H2,1-2H3,(H2,21,26,27)
InChIKeyXKECPBDNHHGRPJ-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.09
Rot. Bonds8

About 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline

7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline (PubChem CID 155137804) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
PubChem CID155137804
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
SMILESCCC(CNS(N)(=O)=O)C1CCN(c2ccnc3cc(C=O)c(OC)cc23)CC1
InChIInChI=1S/C20H28N4O4S/c1-3-14(12-23-29(21,26)27)15-5-8-24(9-6-15)19-4-7-22-18-10-16(13-25)20(28-2)11-17(18)19/h4,7,10-11,13-15,23H,3,5-6,8-9,12H2,1-2H3,(H2,21,26,27)
InChIKeyXKECPBDNHHGRPJ-UHFFFAOYSA-N
XLogP2.09
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.09
H-Bond Donors ≤ 52
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 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline?
The IUPAC name of 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline (CID 155137804) is 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline is CCC(CNS(N)(=O)=O)C1CCN(c2ccnc3cc(C=O)c(OC)cc23)CC1.
What is the InChIKey of 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline?
The InChIKey is XKECPBDNHHGRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-3-14(12-23-29(21,26)27)15-5-8-24(9-6-15)19-4-7-22-18-10-16(13-25)20(28-2)11-17(18)19/h4,7,10-11,13-15,23H,3,5-6,8-9,12H2,1-2H3,(H2,21,26,27).
What are the key properties of 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline?
7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline has a molecular weight of 420.54 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 155137804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).