methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate

C11H13ClN2O2 — CID 115043971

IUPACmethyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate
SMILESCOC(=O)C1CCCc2c(Cl)nc(C)nc21
InChIInChI=1S/C11H13ClN2O2/c1-6-13-9-7(10(12)14-6)4-3-5-8(9)11(15)16-2/h8H,3-5H2,1-2H3
InChIKeyKNRPWLGBMDETNZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.03
Rot. Bonds1

About methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate

methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate (PubChem CID 115043971) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate
PubChem CID115043971
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Namemethyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate
SMILESCOC(=O)C1CCCc2c(Cl)nc(C)nc21
InChIInChI=1S/C11H13ClN2O2/c1-6-13-9-7(10(12)14-6)4-3-5-8(9)11(15)16-2/h8H,3-5H2,1-2H3
InChIKeyKNRPWLGBMDETNZ-UHFFFAOYSA-N
XLogP2.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate?
The IUPAC name of methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate (CID 115043971) is methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate?
The canonical SMILES for methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate is COC(=O)C1CCCc2c(Cl)nc(C)nc21.
What is the InChIKey of methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate?
The InChIKey is KNRPWLGBMDETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-6-13-9-7(10(12)14-6)4-3-5-8(9)11(15)16-2/h8H,3-5H2,1-2H3.
What are the key properties of methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate?
methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate has a molecular weight of 240.69 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline-8-carboxylate is sourced from PubChem (CID 115043971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).