2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine

C11H14ClN3 — CID 68689988

IUPAC2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine
SMILESCC1N=C(CCN)Nc2cccc(Cl)c21
InChIInChI=1S/C11H14ClN3/c1-7-11-8(12)3-2-4-9(11)15-10(14-7)5-6-13/h2-4,7H,5-6,13H2,1H3,(H,14,15)
InChIKeyYKJPOBSHRUETEG-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.57
Rot. Bonds2

About 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine

2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine (PubChem CID 68689988) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine
PubChem CID68689988
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine
SMILESCC1N=C(CCN)Nc2cccc(Cl)c21
InChIInChI=1S/C11H14ClN3/c1-7-11-8(12)3-2-4-9(11)15-10(14-7)5-6-13/h2-4,7H,5-6,13H2,1H3,(H,14,15)
InChIKeyYKJPOBSHRUETEG-UHFFFAOYSA-N
XLogP2.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine (CID 68689988) is 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine is CC1N=C(CCN)Nc2cccc(Cl)c21.
What is the InChIKey of 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine?
The InChIKey is YKJPOBSHRUETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7-11-8(12)3-2-4-9(11)15-10(14-7)5-6-13/h2-4,7H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine?
2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine has a molecular weight of 223.71 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)ethanamine is sourced from PubChem (CID 68689988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).