N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide

C13H21N3O4S — CID 20601028

IUPACN-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide
SMILESCN(CCCn1c2c(c(=O)[nH]c1=O)CCCC2)S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-15(21(2,19)20)8-5-9-16-11-7-4-3-6-10(11)12(17)14-13(16)18/h3-9H2,1-2H3,(H,14,17,18)
InChIKeyISNNCVXTIYGCFC-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.30
Rot. Bonds5

About N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide

N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide (PubChem CID 20601028) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide
PubChem CID20601028
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide
SMILESCN(CCCn1c2c(c(=O)[nH]c1=O)CCCC2)S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-15(21(2,19)20)8-5-9-16-11-7-4-3-6-10(11)12(17)14-13(16)18/h3-9H2,1-2H3,(H,14,17,18)
InChIKeyISNNCVXTIYGCFC-UHFFFAOYSA-N
XLogP-0.30
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide (CID 20601028) is N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide is CN(CCCn1c2c(c(=O)[nH]c1=O)CCCC2)S(C)(=O)=O.
What is the InChIKey of N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide?
The InChIKey is ISNNCVXTIYGCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-15(21(2,19)20)8-5-9-16-11-7-4-3-6-10(11)12(17)14-13(16)18/h3-9H2,1-2H3,(H,14,17,18).
What are the key properties of N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide?
N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide has a molecular weight of 315.40 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 20601028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).