1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine

C15H19ClN4 — CID 86885508

IUPAC1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2ncnc3cc(Cl)ccc23)C1
InChIInChI=1S/C15H19ClN4/c1-19(2)12-4-3-7-20(9-12)15-13-6-5-11(16)8-14(13)17-10-18-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyRXMUHKNGYUPVKK-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.81
Rot. Bonds2

About 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine

1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine (PubChem CID 86885508) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
PubChem CID86885508
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2ncnc3cc(Cl)ccc23)C1
InChIInChI=1S/C15H19ClN4/c1-19(2)12-4-3-7-20(9-12)15-13-6-5-11(16)8-14(13)17-10-18-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3
InChIKeyRXMUHKNGYUPVKK-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine (CID 86885508) is 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2ncnc3cc(Cl)ccc23)C1.
What is the InChIKey of 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is RXMUHKNGYUPVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-19(2)12-4-3-7-20(9-12)15-13-6-5-11(16)8-14(13)17-10-18-15/h5-6,8,10,12H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine?
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 290.80 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 86885508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).