1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine

C12H14ClN3 — CID 105497206

IUPAC1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ncc2cccc(Cl)c2n1
InChIInChI=1S/C12H14ClN3/c1-8(14-2)6-11-15-7-9-4-3-5-10(13)12(9)16-11/h3-5,7-8,14H,6H2,1-2H3
InChIKeyULJKUAYDKJIACW-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.43
Rot. Bonds3

About 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine

1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine (PubChem CID 105497206) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine
PubChem CID105497206
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ncc2cccc(Cl)c2n1
InChIInChI=1S/C12H14ClN3/c1-8(14-2)6-11-15-7-9-4-3-5-10(13)12(9)16-11/h3-5,7-8,14H,6H2,1-2H3
InChIKeyULJKUAYDKJIACW-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine (CID 105497206) is 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine is CNC(C)Cc1ncc2cccc(Cl)c2n1.
What is the InChIKey of 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine?
The InChIKey is ULJKUAYDKJIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(14-2)6-11-15-7-9-4-3-5-10(13)12(9)16-11/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine?
1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine has a molecular weight of 235.72 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105497206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).