(4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone

C29H25N5O — CID 155512529

IUPAC(4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3ncnc4ccc(-c5cnc6ccccc6c5)cc34)c2)CC1
InChIInChI=1S/C29H25N5O/c1-33-11-13-34(14-12-33)29(35)23-7-4-6-22(16-23)28-25-17-20(9-10-27(25)31-19-32-28)24-15-21-5-2-3-8-26(21)30-18-24/h2-10,15-19H,11-14H2,1H3
InChIKeyAOCLEMAZPXBCKF-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.90
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone

(4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone (PubChem CID 155512529) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone
PubChem CID155512529
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name(4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3ncnc4ccc(-c5cnc6ccccc6c5)cc34)c2)CC1
InChIInChI=1S/C29H25N5O/c1-33-11-13-34(14-12-33)29(35)23-7-4-6-22(16-23)28-25-17-20(9-10-27(25)31-19-32-28)24-15-21-5-2-3-8-26(21)30-18-24/h2-10,15-19H,11-14H2,1H3
InChIKeyAOCLEMAZPXBCKF-UHFFFAOYSA-N
XLogP4.90
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone (CID 155512529) is (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone is CN1CCN(C(=O)c2cccc(-c3ncnc4ccc(-c5cnc6ccccc6c5)cc34)c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone?
The InChIKey is AOCLEMAZPXBCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c1-33-11-13-34(14-12-33)29(35)23-7-4-6-22(16-23)28-25-17-20(9-10-27(25)31-19-32-28)24-15-21-5-2-3-8-26(21)30-18-24/h2-10,15-19H,11-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone has a molecular weight of 459.55 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-(6-quinolin-3-ylquinazolin-4-yl)phenyl]methanone is sourced from PubChem (CID 155512529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).