[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

C20H25N5O — CID 138382094

IUPAC[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
SMILESCc1ccc(N2CCCN(C(=O)c3cnc4c(c3)CCCC4)CC2)nn1
InChIInChI=1S/C20H25N5O/c1-15-7-8-19(23-22-15)24-9-4-10-25(12-11-24)20(26)17-13-16-5-2-3-6-18(16)21-14-17/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyWVNMWMFJPWQCLV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.41
Rot. Bonds2

About [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone (PubChem CID 138382094) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
PubChem CID138382094
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
SMILESCc1ccc(N2CCCN(C(=O)c3cnc4c(c3)CCCC4)CC2)nn1
InChIInChI=1S/C20H25N5O/c1-15-7-8-19(23-22-15)24-9-4-10-25(12-11-24)20(26)17-13-16-5-2-3-6-18(16)21-14-17/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyWVNMWMFJPWQCLV-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone with MolForge

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Related Compounds

(4-ethoxy-3-methylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86938536
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 56699157
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
(4-chloro-3-methylsulfonylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86941349
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 138385010
[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110744372
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519
2,2-dimethyl-N-[4-methyl-5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]propanamide
CID 86941352
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The IUPAC name of [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone (CID 138382094) is [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone.
What is the SMILES notation for [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The canonical SMILES for [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone is Cc1ccc(N2CCCN(C(=O)c3cnc4c(c3)CCCC4)CC2)nn1.
What is the InChIKey of [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The InChIKey is WVNMWMFJPWQCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-7-8-19(23-22-15)24-9-4-10-25(12-11-24)20(26)17-13-16-5-2-3-6-18(16)21-14-17/h7-8,13-14H,2-6,9-12H2,1H3.
What are the key properties of [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-(5,6,7,8-tetrahydroquinolin-3-yl)methanone is sourced from PubChem (CID 138382094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).