[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

C27H27N7O2 — CID 3241112

IUPAC[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C27H27N7O2/c35-27(22-19-24(20-7-9-28-10-8-20)29-23-4-2-1-3-21(22)23)34-13-11-32(12-14-34)25-5-6-26(31-30-25)33-15-17-36-18-16-33/h1-10,19H,11-18H2
InChIKeyCPHPEVVWPKIKAA-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.89
Rot. Bonds4

About [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (PubChem CID 3241112) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
PubChem CID3241112
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C27H27N7O2/c35-27(22-19-24(20-7-9-28-10-8-20)29-23-4-2-1-3-21(22)23)34-13-11-32(12-14-34)25-5-6-26(31-30-25)33-15-17-36-18-16-33/h1-10,19H,11-18H2
InChIKeyCPHPEVVWPKIKAA-UHFFFAOYSA-N
XLogP2.89
TPSA87.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone (CID 3241112) is [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
The InChIKey is CPHPEVVWPKIKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c35-27(22-19-24(20-7-9-28-10-8-20)29-23-4-2-1-3-21(22)23)34-13-11-32(12-14-34)25-5-6-26(31-30-25)33-15-17-36-18-16-33/h1-10,19H,11-18H2.
What are the key properties of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone?
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone has a molecular weight of 481.56 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone is sourced from PubChem (CID 3241112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).