N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine

C21H20ClN5 — CID 155559378

IUPACN-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
SMILESClc1ccc2c(NCCCCNc3ccnc4cccnc34)ccnc2c1
InChIInChI=1S/C21H20ClN5/c22-15-5-6-16-17(7-12-26-20(16)14-15)23-9-1-2-10-24-19-8-13-25-18-4-3-11-27-21(18)19/h3-8,11-14H,1-2,9-10H2,(H,23,26)(H,24,25)
InChIKeyQBOUPMXRVIIJPY-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.14
Rot. Bonds7

About N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine

N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine (PubChem CID 155559378) has the molecular formula C21H20ClN5 and a molecular weight of 377.88 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
PubChem CID155559378
Molecular FormulaC21H20ClN5
Molecular Weight377.88 g/mol
Exact Mass377.14
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
SMILESClc1ccc2c(NCCCCNc3ccnc4cccnc34)ccnc2c1
InChIInChI=1S/C21H20ClN5/c22-15-5-6-16-17(7-12-26-20(16)14-15)23-9-1-2-10-24-19-8-13-25-18-4-3-11-27-21(18)19/h3-8,11-14H,1-2,9-10H2,(H,23,26)(H,24,25)
InChIKeyQBOUPMXRVIIJPY-UHFFFAOYSA-N
XLogP5.14
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-butyl-7-chloroquinolin-4-amine
CID 10037042
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
CID 70870191
CID 70870191
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
CID 58476704
4-[(7-chloroquinolin-4-yl)amino]butyl nitrate
CID 54051305
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine (CID 155559378) is N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine is Clc1ccc2c(NCCCCNc3ccnc4cccnc34)ccnc2c1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine?
The InChIKey is QBOUPMXRVIIJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5/c22-15-5-6-16-17(7-12-26-20(16)14-15)23-9-1-2-10-24-19-8-13-25-18-4-3-11-27-21(18)19/h3-8,11-14H,1-2,9-10H2,(H,23,26)(H,24,25).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine?
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine has a molecular weight of 377.88 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 155559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).