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

C14H17ClN4 — CID 24742050

IUPAC6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
SMILESCCN1CCN(c2ncnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C14H17ClN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyBRVBTCWUNGBDHG-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.43
Rot. Bonds2

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

6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline (PubChem CID 24742050) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
PubChem CID24742050
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
SMILESCCN1CCN(c2ncnc3ccc(Cl)cc23)CC1
InChIInChI=1S/C14H17ClN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyBRVBTCWUNGBDHG-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline (CID 24742050) is 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline is CCN1CCN(c2ncnc3ccc(Cl)cc23)CC1.
What is the InChIKey of 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline?
The InChIKey is BRVBTCWUNGBDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-2-18-5-7-19(8-6-18)14-12-9-11(15)3-4-13(12)16-10-17-14/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline?
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline has a molecular weight of 276.77 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 24742050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).