2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline

C9H10Cl2N2O — CID 167452320

IUPAC2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline
SMILESCOC1CCCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H10Cl2N2O/c1-14-6-4-2-3-5-7(6)12-9(11)13-8(5)10/h6H,2-4H2,1H3
InChIKeyNAIIPBHKYXPKGP-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.81
Rot. Bonds1

About 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline

2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline (PubChem CID 167452320) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline
PubChem CID167452320
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline
SMILESCOC1CCCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C9H10Cl2N2O/c1-14-6-4-2-3-5-7(6)12-9(11)13-8(5)10/h6H,2-4H2,1H3
InChIKeyNAIIPBHKYXPKGP-UHFFFAOYSA-N
XLogP2.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline (CID 167452320) is 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline is COC1CCCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline?
The InChIKey is NAIIPBHKYXPKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-14-6-4-2-3-5-7(6)12-9(11)13-8(5)10/h6H,2-4H2,1H3.
What are the key properties of 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline?
2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline has a molecular weight of 233.10 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-methoxy-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 167452320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).