6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline

C19H19ClN4 — CID 659436

IUPAC6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline
SMILESCN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H19ClN4/c1-23-9-11-24(12-10-23)19-21-17-8-7-15(20)13-16(17)18(22-19)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeySCWQMFSITLQXBE-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.70
Rot. Bonds2

About 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline

6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline (PubChem CID 659436) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline
PubChem CID659436
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline
SMILESCN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H19ClN4/c1-23-9-11-24(12-10-23)19-21-17-8-7-15(20)13-16(17)18(22-19)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeySCWQMFSITLQXBE-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline (CID 659436) is 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline is CN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline?
The InChIKey is SCWQMFSITLQXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-23-9-11-24(12-10-23)19-21-17-8-7-15(20)13-16(17)18(22-19)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline?
6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline has a molecular weight of 338.84 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylpiperazin-1-yl)-4-phenylquinazoline is sourced from PubChem (CID 659436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).