6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline

C22H30N6O4S — CID 168793669

IUPAC6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline
SMILESCOc1cc2c(cc1OC)C(N1CCC(CCNS(N)(=O)=O)CC1)=NC(c1ccncc1)N2
InChIInChI=1S/C22H30N6O4S/c1-31-19-13-17-18(14-20(19)32-2)26-21(16-4-8-24-9-5-16)27-22(17)28-11-6-15(7-12-28)3-10-25-33(23,29)30/h4-5,8-9,13-15,21,25-26H,3,6-7,10-12H2,1-2H3,(H2,23,29,30)
InChIKeyULTVNHQYFBHNJV-UHFFFAOYSA-N
MW474.59 g/mol
LogP1.86
Rot. Bonds7

About 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline

6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline (PubChem CID 168793669) has the molecular formula C22H30N6O4S and a molecular weight of 474.59 g/mol. Its IUPAC name is 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline
PubChem CID168793669
Molecular FormulaC22H30N6O4S
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline
SMILESCOc1cc2c(cc1OC)C(N1CCC(CCNS(N)(=O)=O)CC1)=NC(c1ccncc1)N2
InChIInChI=1S/C22H30N6O4S/c1-31-19-13-17-18(14-20(19)32-2)26-21(16-4-8-24-9-5-16)27-22(17)28-11-6-15(7-12-28)3-10-25-33(23,29)30/h4-5,8-9,13-15,21,25-26H,3,6-7,10-12H2,1-2H3,(H2,23,29,30)
InChIKeyULTVNHQYFBHNJV-UHFFFAOYSA-N
XLogP1.86
TPSA131.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline?
The IUPAC name of 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline (CID 168793669) is 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline.
What is the SMILES notation for 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline?
The canonical SMILES for 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline is COc1cc2c(cc1OC)C(N1CCC(CCNS(N)(=O)=O)CC1)=NC(c1ccncc1)N2.
What is the InChIKey of 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline?
The InChIKey is ULTVNHQYFBHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4S/c1-31-19-13-17-18(14-20(19)32-2)26-21(16-4-8-24-9-5-16)27-22(17)28-11-6-15(7-12-28)3-10-25-33(23,29)30/h4-5,8-9,13-15,21,25-26H,3,6-7,10-12H2,1-2H3,(H2,23,29,30).
What are the key properties of 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline?
6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline has a molecular weight of 474.59 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-pyridin-4-yl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]-1,2-dihydroquinazoline is sourced from PubChem (CID 168793669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).