6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one

C16H17Cl2N3O2 — CID 18195115

IUPAC6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one
SMILESCC1CCCCN1C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C16H17Cl2N3O2/c1-10-4-2-3-5-21(10)14(22)8-20-9-19-15-12(16(20)23)6-11(17)7-13(15)18/h6-7,9-10H,2-5,8H2,1H3
InChIKeyNEOOOXRXQOZRKT-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.10
Rot. Bonds2

About 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one

6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one (PubChem CID 18195115) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one
PubChem CID18195115
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one
SMILESCC1CCCCN1C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C16H17Cl2N3O2/c1-10-4-2-3-5-21(10)14(22)8-20-9-19-15-12(16(20)23)6-11(17)7-13(15)18/h6-7,9-10H,2-5,8H2,1H3
InChIKeyNEOOOXRXQOZRKT-UHFFFAOYSA-N
XLogP3.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one (CID 18195115) is 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one is CC1CCCCN1C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is NEOOOXRXQOZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-10-4-2-3-5-21(10)14(22)8-20-9-19-15-12(16(20)23)6-11(17)7-13(15)18/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one?
6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 354.24 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 18195115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).