1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea

C24H27ClN6O4 — CID 135783351

IUPAC1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea
SMILESO=C(NCCNc1ccnc2cc(Cl)ccc12)N/N=C/c1ccc(O)c(CN2CCOCC2)c1O
InChIInChI=1S/C24H27ClN6O4/c25-17-2-3-18-20(5-6-26-21(18)13-17)27-7-8-28-24(34)30-29-14-16-1-4-22(32)19(23(16)33)15-31-9-11-35-12-10-31/h1-6,13-14,32-33H,7-12,15H2,(H,26,27)(H2,28,30,34)/b29-14+
InChIKeyJMDNWWSALQMFAU-IPPBACCNSA-N
MW498.97 g/mol
LogP2.88
Rot. Bonds8

About 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea

1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea (PubChem CID 135783351) has the molecular formula C24H27ClN6O4 and a molecular weight of 498.97 g/mol. Its IUPAC name is 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea.

Molecular Properties

Compound Name1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea
PubChem CID135783351
Molecular FormulaC24H27ClN6O4
Molecular Weight498.97 g/mol
Exact Mass498.18
IUPAC Name1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea
SMILESO=C(NCCNc1ccnc2cc(Cl)ccc12)N/N=C/c1ccc(O)c(CN2CCOCC2)c1O
InChIInChI=1S/C24H27ClN6O4/c25-17-2-3-18-20(5-6-26-21(18)13-17)27-7-8-28-24(34)30-29-14-16-1-4-22(32)19(23(16)33)15-31-9-11-35-12-10-31/h1-6,13-14,32-33H,7-12,15H2,(H,26,27)(H2,28,30,34)/b29-14+
InChIKeyJMDNWWSALQMFAU-IPPBACCNSA-N
XLogP2.88
TPSA131.34 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 52.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-[(3-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl}-2,4-dihydroxyphenyl)methylidene]amino]urea
CID 135463520
[(E)-[(3-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl}-2,4-dihydroxyphenyl)methylidene]amino]urea
CID 135783347
1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-({3-[(diethylamino)methyl]-2,4-dihydroxyphenyl}methylidene)amino]urea
CID 135783348
1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-{[2,4-dihydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino]urea
CID 135783349
1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-{[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene}amino]urea
CID 135783350
1-{2-[(7-chloroquinolin-4-yl)amino]ethyl}-3-[(E)-({2,4-dihydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl}methylidene)amino]urea
CID 135783352
[(E)-[(3-{[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl}-2,4-dihydroxyphenyl)methylidene]amino]thiourea
CID 135783346
4-(7-Chloroquinolin-4-yl)-2-[(2-morpholin-4-ylethylamino)methyl]phenol
CID 135971374
4-[2-[(7-Chloroquinolin-4-yl)amino]ethyliminomethyl]benzene-1,3-diol
CID 162672643
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69404622
2-[[2-[(7-chloroquinolin-4-yl)amino]ethylamino]methyl]-4-[(E)-hydrazinylidenemethyl]benzene-1,3-diol
CID 136646915

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea?
The IUPAC name of 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea (CID 135783351) is 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea.
What is the SMILES notation for 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea?
The canonical SMILES for 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea is O=C(NCCNc1ccnc2cc(Cl)ccc12)N/N=C/c1ccc(O)c(CN2CCOCC2)c1O.
What is the InChIKey of 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea?
The InChIKey is JMDNWWSALQMFAU-IPPBACCNSA-N. The full InChI is InChI=1S/C24H27ClN6O4/c25-17-2-3-18-20(5-6-26-21(18)13-17)27-7-8-28-24(34)30-29-14-16-1-4-22(32)19(23(16)33)15-31-9-11-35-12-10-31/h1-6,13-14,32-33H,7-12,15H2,(H,26,27)(H2,28,30,34)/b29-14+.
What are the key properties of 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea?
1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea has a molecular weight of 498.97 g/mol, XLogP of 2.88, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-[(E)-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]urea is sourced from PubChem (CID 135783351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).