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

C9H10Cl2N2 — CID 14145430

IUPAC2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCC1CCc2c(Cl)nc(Cl)nc2C1
InChIInChI=1S/C9H10Cl2N2/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3
InChIKeyFZDKNAIGQIBILC-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.91
Rot. Bonds

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

2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 14145430) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline
PubChem CID14145430
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCC1CCc2c(Cl)nc(Cl)nc2C1
InChIInChI=1S/C9H10Cl2N2/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3
InChIKeyFZDKNAIGQIBILC-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline (CID 14145430) is 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline is CC1CCc2c(Cl)nc(Cl)nc2C1.
What is the InChIKey of 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is FZDKNAIGQIBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-5-2-3-6-7(4-5)12-9(11)13-8(6)10/h5H,2-4H2,1H3.
What are the key properties of 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline?
2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 217.10 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-methyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 14145430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).