7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline

C16H23N5O3S — CID 54583395

IUPAC7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
SMILESCOc1ccc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2c1
InChIInChI=1S/C16H23N5O3S/c1-24-13-2-3-14-15(10-13)18-11-19-16(14)21-8-5-12(6-9-21)4-7-20-25(17,22)23/h2-3,10-12,20H,4-9H2,1H3,(H2,17,22,23)
InChIKeyHMZMHGXPYUPLSC-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.04
Rot. Bonds6

About 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline

7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline (PubChem CID 54583395) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
PubChem CID54583395
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline
SMILESCOc1ccc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2c1
InChIInChI=1S/C16H23N5O3S/c1-24-13-2-3-14-15(10-13)18-11-19-16(14)21-8-5-12(6-9-21)4-7-20-25(17,22)23/h2-3,10-12,20H,4-9H2,1H3,(H2,17,22,23)
InChIKeyHMZMHGXPYUPLSC-UHFFFAOYSA-N
XLogP1.04
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline?
The IUPAC name of 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline (CID 54583395) is 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline.
What is the SMILES notation for 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline?
The canonical SMILES for 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline is COc1ccc2c(N3CCC(CCNS(N)(=O)=O)CC3)ncnc2c1.
What is the InChIKey of 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline?
The InChIKey is HMZMHGXPYUPLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-24-13-2-3-14-15(10-13)18-11-19-16(14)21-8-5-12(6-9-21)4-7-20-25(17,22)23/h2-3,10-12,20H,4-9H2,1H3,(H2,17,22,23).
What are the key properties of 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline?
7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline has a molecular weight of 365.46 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazoline is sourced from PubChem (CID 54583395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).