8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline

C18H25N3 — CID 64871920

IUPAC8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCCC1(C)CN(Cc2cccc3cccnc23)CCCN1
InChIInChI=1S/C18H25N3/c1-3-18(2)14-21(12-6-11-20-18)13-16-8-4-7-15-9-5-10-19-17(15)16/h4-5,7-10,20H,3,6,11-14H2,1-2H3
InChIKeyFQVAIXRXEFTYHN-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.20
Rot. Bonds3

About 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline

8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline (PubChem CID 64871920) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
PubChem CID64871920
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCCC1(C)CN(Cc2cccc3cccnc23)CCCN1
InChIInChI=1S/C18H25N3/c1-3-18(2)14-21(12-6-11-20-18)13-16-8-4-7-15-9-5-10-19-17(15)16/h4-5,7-10,20H,3,6,11-14H2,1-2H3
InChIKeyFQVAIXRXEFTYHN-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-methyl-1-(naphthalen-1-ylmethyl)-1,4-diazepane
CID 64871720
8-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64832242
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 82745597
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
1-(1-benzothiophen-3-ylmethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64869945
3-ethyl-3-methyl-1-[(5-methylpyrazin-2-yl)methyl]-1,4-diazepane
CID 64948988
4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64952945
1-[(4-tert-butylphenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64870731
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871927

Frequently Asked Questions

What is the IUPAC name of 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The IUPAC name of 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline (CID 64871920) is 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline.
What is the SMILES notation for 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The canonical SMILES for 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline is CCC1(C)CN(Cc2cccc3cccnc23)CCCN1.
What is the InChIKey of 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The InChIKey is FQVAIXRXEFTYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-18(2)14-21(12-6-11-20-18)13-16-8-4-7-15-9-5-10-19-17(15)16/h4-5,7-10,20H,3,6,11-14H2,1-2H3.
What are the key properties of 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline?
8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-ethyl-3-methyl-1,4-diazepan-1-yl)methyl]quinoline is sourced from PubChem (CID 64871920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).