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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Related Compounds

7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
CID 24606917
7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline
CID 86933291
1-(6-chloroquinazolin-4-yl)-N-methylsulfanylpiperidin-3-amine
CID 142582714
7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline
CID 86876437
1-[[1-(7-chloroquinazolin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 86882662
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
1-[5-chloro-2-(chloromethyl)phenyl]-N,N-dimethylpiperidin-3-amine
CID 114846746
4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
CID 1414117
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
1-[4-(7-chloroquinazolin-4-yl)-2-methylpiperazin-1-yl]propan-1-one
CID 135188333

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).