6-chloro-4-(4-methylpiperazin-1-yl)quinazoline

C13H15ClN4 — CID 24742049

IUPAC6-chloro-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C13H15ClN4/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7H2,1H3
InChIKeyIIGDHOUWRVIBBY-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.04
Rot. Bonds1

About 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline

6-chloro-4-(4-methylpiperazin-1-yl)quinazoline (PubChem CID 24742049) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-(4-methylpiperazin-1-yl)quinazoline
PubChem CID24742049
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name6-chloro-4-(4-methylpiperazin-1-yl)quinazoline
SMILESCN1CCN(c2ncnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C13H15ClN4/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7H2,1H3
InChIKeyIIGDHOUWRVIBBY-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Chloroanilino)quinazoline
CID 128872
4-Chloroquinazoline
CID 78864
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
6-Chloroquinazoline-2,4-diamine
CID 256219
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
4-Chloro-2-phenylquinazoline
CID 80977
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
4-N-(3-chlorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328070
6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 5328819

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline (CID 24742049) is 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline is CN1CCN(c2ncnc3ccc(Cl)cc23)CC1.
What is the InChIKey of 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline?
The InChIKey is IIGDHOUWRVIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-17-4-6-18(7-5-17)13-11-8-10(14)2-3-12(11)15-9-16-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline?
6-chloro-4-(4-methylpiperazin-1-yl)quinazoline has a molecular weight of 262.74 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 24742049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).