4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine

C16H18ClN7 — CID 71508321

IUPAC4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine
SMILESNc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(N)n1
InChIInChI=1S/C16H18ClN7/c17-10-2-3-11-12(4-7-21-13(11)8-10)20-5-1-6-22-15-9-14(18)23-16(19)24-15/h2-4,7-9H,1,5-6H2,(H,20,21)(H5,18,19,22,23,24)
InChIKeyYTWZZYQNAMZZBH-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.76
Rot. Bonds6

About 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine

4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine (PubChem CID 71508321) has the molecular formula C16H18ClN7 and a molecular weight of 343.82 g/mol. Its IUPAC name is 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine
PubChem CID71508321
Molecular FormulaC16H18ClN7
Molecular Weight343.82 g/mol
Exact Mass343.13
IUPAC Name4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine
SMILESNc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(N)n1
InChIInChI=1S/C16H18ClN7/c17-10-2-3-11-12(4-7-21-13(11)8-10)20-5-1-6-22-15-9-14(18)23-16(19)24-15/h2-4,7-9H,1,5-6H2,(H,20,21)(H5,18,19,22,23,24)
InChIKeyYTWZZYQNAMZZBH-UHFFFAOYSA-N
XLogP2.76
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine with MolForge

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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
2-[3-[(7-chloroquinolin-4-yl)amino]propylamino]ethanethiol
CID 14522863
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
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
CID 70870191
CID 70870191
2-N-butyl-4-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]pyrimidine-2,4-diamine
CID 163709350
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
4-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]pyrimidin-2-yl]amino]butan-1-ol
CID 127048435
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine
CID 70691269
5-[[4-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-6-methylpyrimidin-2-yl]amino]pentan-1-ol
CID 71735482

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine (CID 71508321) is 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine is Nc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(N)n1.
What is the InChIKey of 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine?
The InChIKey is YTWZZYQNAMZZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN7/c17-10-2-3-11-12(4-7-21-13(11)8-10)20-5-1-6-22-15-9-14(18)23-16(19)24-15/h2-4,7-9H,1,5-6H2,(H,20,21)(H5,18,19,22,23,24).
What are the key properties of 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine?
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine has a molecular weight of 343.82 g/mol, XLogP of 2.76, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71508321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).