6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine

C18H26N4O2S — CID 119049483

IUPAC6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine
SMILESCCCN1CCC(CNc2ncnc3ccc(S(C)(=O)=O)cc23)CC1
InChIInChI=1S/C18H26N4O2S/c1-3-8-22-9-6-14(7-10-22)12-19-18-16-11-15(25(2,23)24)4-5-17(16)20-13-21-18/h4-5,11,13-14H,3,6-10,12H2,1-2H3,(H,19,20,21)
InChIKeyGTKZVRGCQBUGFU-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.57
Rot. Bonds6

About 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine

6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine (PubChem CID 119049483) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine
PubChem CID119049483
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine
SMILESCCCN1CCC(CNc2ncnc3ccc(S(C)(=O)=O)cc23)CC1
InChIInChI=1S/C18H26N4O2S/c1-3-8-22-9-6-14(7-10-22)12-19-18-16-11-15(25(2,23)24)4-5-17(16)20-13-21-18/h4-5,11,13-14H,3,6-10,12H2,1-2H3,(H,19,20,21)
InChIKeyGTKZVRGCQBUGFU-UHFFFAOYSA-N
XLogP2.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine (CID 119049483) is 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine is CCCN1CCC(CNc2ncnc3ccc(S(C)(=O)=O)cc23)CC1.
What is the InChIKey of 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine?
The InChIKey is GTKZVRGCQBUGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-3-8-22-9-6-14(7-10-22)12-19-18-16-11-15(25(2,23)24)4-5-17(16)20-13-21-18/h4-5,11,13-14H,3,6-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine?
6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine has a molecular weight of 362.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-[(1-propylpiperidin-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 119049483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).