2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide

C19H20ClN5O — CID 44544142

IUPAC2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide
SMILESNc1ccc(N)c(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C19H20ClN5O/c20-12-2-4-14-17(6-9-24-18(14)10-12)23-7-1-8-25-19(26)15-11-13(21)3-5-16(15)22/h2-6,9-11H,1,7-8,21-22H2,(H,23,24)(H,25,26)
InChIKeyJOVKHNFLBWQSJT-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.28
Rot. Bonds6

About 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide

2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide (PubChem CID 44544142) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide
PubChem CID44544142
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide
SMILESNc1ccc(N)c(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1
InChIInChI=1S/C19H20ClN5O/c20-12-2-4-14-17(6-9-24-18(14)10-12)23-7-1-8-25-19(26)15-11-13(21)3-5-16(15)22/h2-6,9-11H,1,7-8,21-22H2,(H,23,24)(H,25,26)
InChIKeyJOVKHNFLBWQSJT-UHFFFAOYSA-N
XLogP3.28
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

AV-608
CID 9917079
2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide
CID 657038
N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
CID 9797919
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone
CID 1251584
FR-261529
CID 9993998
Entasobulin
CID 10203597
N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
CID 67120985
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
CID 11272051
N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide?
The IUPAC name of 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide (CID 44544142) is 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide.
What is the SMILES notation for 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide?
The canonical SMILES for 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide is Nc1ccc(N)c(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1.
What is the InChIKey of 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide?
The InChIKey is JOVKHNFLBWQSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-12-2-4-14-17(6-9-24-18(14)10-12)23-7-1-8-25-19(26)15-11-13(21)3-5-16(15)22/h2-6,9-11H,1,7-8,21-22H2,(H,23,24)(H,25,26).
What are the key properties of 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide?
2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide has a molecular weight of 369.86 g/mol, XLogP of 3.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]benzamide is sourced from PubChem (CID 44544142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).