4-(1,4-diazepan-1-yl)quinoline

C14H17N3 — CID 61339543

IUPAC4-(1,4-diazepan-1-yl)quinoline
SMILESc1ccc2c(N3CCCNCC3)ccnc2c1
InChIInChI=1S/C14H17N3/c1-2-5-13-12(4-1)14(6-8-16-13)17-10-3-7-15-9-11-17/h1-2,4-6,8,15H,3,7,9-11H2
InChIKeyCZENTVNNJBFIMW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.03
Rot. Bonds1

About 4-(1,4-diazepan-1-yl)quinoline

4-(1,4-diazepan-1-yl)quinoline (PubChem CID 61339543) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(1,4-diazepan-1-yl)quinoline.

Molecular Properties

Compound Name4-(1,4-diazepan-1-yl)quinoline
PubChem CID61339543
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(1,4-diazepan-1-yl)quinoline
SMILESc1ccc2c(N3CCCNCC3)ccnc2c1
InChIInChI=1S/C14H17N3/c1-2-5-13-12(4-1)14(6-8-16-13)17-10-3-7-15-9-11-17/h1-2,4-6,8,15H,3,7,9-11H2
InChIKeyCZENTVNNJBFIMW-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-piperazin-1-ylquinoline
CID 10656226
4-(1,4-diazepan-1-yl)-6-fluoroquinoline
CID 53399075
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137
5-pyrrolidin-1-ylquinoline
CID 118731129
sodium;hydride;4-piperazin-1-ylquinolin-7-ol
CID 173028070
1-quinolin-4-ylpiperidin-4-one
CID 22000285
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367
sodium 4-piperazin-1-ylquinolin-7-olate
CID 141086656
5-piperidin-1-ylquinoline
CID 12887802
4-[1-(1,4-diazepan-1-yl)ethyl]quinoline
CID 3750688
4-(1,4-diazepan-1-yl)-6-(4-propan-2-ylphenyl)sulfonylquinoline;hydrochloride
CID 10321324
2-(4-quinolin-4-ylpiperazin-1-yl)ethanamine
CID 61340442

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepan-1-yl)quinoline?
The IUPAC name of 4-(1,4-diazepan-1-yl)quinoline (CID 61339543) is 4-(1,4-diazepan-1-yl)quinoline.
What is the SMILES notation for 4-(1,4-diazepan-1-yl)quinoline?
The canonical SMILES for 4-(1,4-diazepan-1-yl)quinoline is c1ccc2c(N3CCCNCC3)ccnc2c1.
What is the InChIKey of 4-(1,4-diazepan-1-yl)quinoline?
The InChIKey is CZENTVNNJBFIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-5-13-12(4-1)14(6-8-16-13)17-10-3-7-15-9-11-17/h1-2,4-6,8,15H,3,7,9-11H2.
What are the key properties of 4-(1,4-diazepan-1-yl)quinoline?
4-(1,4-diazepan-1-yl)quinoline has a molecular weight of 227.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepan-1-yl)quinoline is sourced from PubChem (CID 61339543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).