N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine

C25H28ClN5 — CID 91884589

IUPACN-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
SMILESCN(CCCNc1ccc2ccccc2n1)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H28ClN5/c1-31(17-5-14-29-25-11-8-19-6-2-3-7-22(19)30-25)16-4-13-27-23-12-15-28-24-18-20(26)9-10-21(23)24/h2-3,6-12,15,18H,4-5,13-14,16-17H2,1H3,(H,27,28)(H,29,30)
InChIKeyMTPIAGPSTYVUFS-UHFFFAOYSA-N
MW433.99 g/mol
LogP5.67
Rot. Bonds10

About N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine

N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine (PubChem CID 91884589) has the molecular formula C25H28ClN5 and a molecular weight of 433.99 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
PubChem CID91884589
Molecular FormulaC25H28ClN5
Molecular Weight433.99 g/mol
Exact Mass433.20
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
SMILESCN(CCCNc1ccc2ccccc2n1)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H28ClN5/c1-31(17-5-14-29-25-11-8-19-6-2-3-7-22(19)30-25)16-4-13-27-23-12-15-28-24-18-20(26)9-10-21(23)24/h2-3,6-12,15,18H,4-5,13-14,16-17H2,1H3,(H,27,28)(H,29,30)
InChIKeyMTPIAGPSTYVUFS-UHFFFAOYSA-N
XLogP5.67
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.99
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine with MolForge

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Related Compounds

N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
CID 58476704
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylnaphthalene-2-sulfonamide
CID 42743697
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
2-N-butyl-4-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]pyrimidine-2,4-diamine
CID 163709350
4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]pyrimidin-2-yl]amino]butan-1-ol
CID 127048435
N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
CID 160577871
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine
CID 71508321

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine (CID 91884589) is N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine is CN(CCCNc1ccc2ccccc2n1)CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine?
The InChIKey is MTPIAGPSTYVUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5/c1-31(17-5-14-29-25-11-8-19-6-2-3-7-22(19)30-25)16-4-13-27-23-12-15-28-24-18-20(26)9-10-21(23)24/h2-3,6-12,15,18H,4-5,13-14,16-17H2,1H3,(H,27,28)(H,29,30).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine?
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine has a molecular weight of 433.99 g/mol, XLogP of 5.67, 10 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'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 91884589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).