[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C26H25N5O2 — CID 155561152

IUPAC[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cn1
InChIInChI=1S/C26H25N5O2/c1-30-10-12-31(13-11-30)26(32)20-5-3-4-19(14-20)25-22-15-18(6-8-23(22)28-17-29-25)21-7-9-24(33-2)27-16-21/h3-9,14-17H,10-13H2,1-2H3
InChIKeyOIJYSJZSPNJQBW-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.76
Rot. Bonds4

About [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 155561152) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID155561152
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cn1
InChIInChI=1S/C26H25N5O2/c1-30-10-12-31(13-11-30)26(32)20-5-3-4-19(14-20)25-22-15-18(6-8-23(22)28-17-29-25)21-7-9-24(33-2)27-16-21/h3-9,14-17H,10-13H2,1-2H3
InChIKeyOIJYSJZSPNJQBW-UHFFFAOYSA-N
XLogP3.76
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 155561152) is [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-c2ccc3ncnc(-c4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cn1.
What is the InChIKey of [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OIJYSJZSPNJQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-30-10-12-31(13-11-30)26(32)20-5-3-4-19(14-20)25-22-15-18(6-8-23(22)28-17-29-25)21-7-9-24(33-2)27-16-21/h3-9,14-17H,10-13H2,1-2H3.
What are the key properties of [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 439.52 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(6-methoxy-3-pyridinyl)quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 155561152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).