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

C16H21N3 — CID 79240395

IUPAC4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCC1CN(Cc2ccnc3ccccc23)CCCN1
InChIInChI=1S/C16H21N3/c1-13-11-19(10-4-8-17-13)12-14-7-9-18-16-6-3-2-5-15(14)16/h2-3,5-7,9,13,17H,4,8,10-12H2,1H3
InChIKeyGIGGCBJQJMDXIP-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.42
Rot. Bonds2

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

4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline (PubChem CID 79240395) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline.

Molecular Properties

Compound Name4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
PubChem CID79240395
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline
SMILESCC1CN(Cc2ccnc3ccccc23)CCCN1
InChIInChI=1S/C16H21N3/c1-13-11-19(10-4-8-17-13)12-14-7-9-18-16-6-3-2-5-15(14)16/h2-3,5-7,9,13,17H,4,8,10-12H2,1H3
InChIKeyGIGGCBJQJMDXIP-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
CID 79232784
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
(3aS,9aR)-1-(quinolin-4-ylmethyl)-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 110136397
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
1-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 104977385
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
CID 81213273
9-(quinolin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 79232566
1-[4-(quinolin-4-ylmethyl)morpholin-2-yl]ethanamine
CID 115314848
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The IUPAC name of 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline (CID 79240395) is 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline.
What is the SMILES notation for 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The canonical SMILES for 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline is CC1CN(Cc2ccnc3ccccc23)CCCN1.
What is the InChIKey of 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline?
The InChIKey is GIGGCBJQJMDXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-11-19(10-4-8-17-13)12-14-7-9-18-16-6-3-2-5-15(14)16/h2-3,5-7,9,13,17H,4,8,10-12H2,1H3.
What are the key properties of 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline?
4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline has a molecular weight of 255.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,4-diazepan-1-yl)methyl]quinoline is sourced from PubChem (CID 79240395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).