6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline

C20H24N6O2S — CID 165038150

IUPAC6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
SMILESCc1cc2nc(-c3ccccn3)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C
InChIInChI=1S/C20H24N6O2S/c1-13-9-16-18(10-14(13)2)24-19(17-5-3-4-7-22-17)25-20(16)26-11-15(12-26)6-8-23-29(21,27)28/h3-5,7,9-10,15,23H,6,8,11-12H2,1-2H3,(H2,21,27,28)
InChIKeyNSAFUHWYNHUDQH-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.93
Rot. Bonds6

About 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline

6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline (PubChem CID 165038150) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
PubChem CID165038150
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline
SMILESCc1cc2nc(-c3ccccn3)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C
InChIInChI=1S/C20H24N6O2S/c1-13-9-16-18(10-14(13)2)24-19(17-5-3-4-7-22-17)25-20(16)26-11-15(12-26)6-8-23-29(21,27)28/h3-5,7,9-10,15,23H,6,8,11-12H2,1-2H3,(H2,21,27,28)
InChIKeyNSAFUHWYNHUDQH-UHFFFAOYSA-N
XLogP1.93
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline (CID 165038150) is 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline is Cc1cc2nc(-c3ccccn3)nc(N3CC(CCNS(N)(=O)=O)C3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
The InChIKey is NSAFUHWYNHUDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-13-9-16-18(10-14(13)2)24-19(17-5-3-4-7-22-17)25-20(16)26-11-15(12-26)6-8-23-29(21,27)28/h3-5,7,9-10,15,23H,6,8,11-12H2,1-2H3,(H2,21,27,28).
What are the key properties of 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline?
6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline has a molecular weight of 412.52 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-pyridin-2-yl-4-[3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]quinazoline is sourced from PubChem (CID 165038150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).