5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione

C24H24Cl2N4O3 — CID 118709389

IUPAC5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione
SMILESO=C1C(=O)N(CC(CO)NCCCCNc2ccnc3cc(Cl)ccc23)c2ccc(Cl)cc21
InChIInChI=1S/C24H24Cl2N4O3/c25-15-4-6-22-19(11-15)23(32)24(33)30(22)13-17(14-31)27-8-1-2-9-28-20-7-10-29-21-12-16(26)3-5-18(20)21/h3-7,10-12,17,27,31H,1-2,8-9,13-14H2,(H,28,29)
InChIKeyHCHUKOXMVCJWNS-UHFFFAOYSA-N
MW487.39 g/mol
LogP3.91
Rot. Bonds10

About 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione

5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione (PubChem CID 118709389) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione
PubChem CID118709389
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC Name5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione
SMILESO=C1C(=O)N(CC(CO)NCCCCNc2ccnc3cc(Cl)ccc23)c2ccc(Cl)cc21
InChIInChI=1S/C24H24Cl2N4O3/c25-15-4-6-22-19(11-15)23(32)24(33)30(22)13-17(14-31)27-8-1-2-9-28-20-7-10-29-21-12-16(26)3-5-18(20)21/h3-7,10-12,17,27,31H,1-2,8-9,13-14H2,(H,28,29)
InChIKeyHCHUKOXMVCJWNS-UHFFFAOYSA-N
XLogP3.91
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione with MolForge

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Related Compounds

Indibulin
CID 2929
5-Chloro-N-{1-[(2R)-2,3-dihydroxypropyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-1H-indole-2-carboxamide
CID 10194504
5-Chloro-N-[1-(2-hydroxyethyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl]-1H-indole-2-carboxamide
CID 10287292
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
1-(4-benzoylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 506222
1-(4-benzoylpiperazin-1-yl)-2-(6-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 506224
1-(4-benzoylpiperazin-1-yl)-2-(5,6-dichloro-1H-indol-3-yl)ethane-1,2-dione
CID 506235
N-(4-chlorobenzyl)-2-(1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl)-2-oxoacetamide
CID 4081388
3-[(7-chloroquinolin-4-yl)amino]-5-[(2-piperidin-1-ylacetyl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25146413
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
CID 45267695
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyridine-4-carboxamide
CID 45273745
2-[1-(2-amino-4-chlorophenyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 46228054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione (CID 118709389) is 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione is O=C1C(=O)N(CC(CO)NCCCCNc2ccnc3cc(Cl)ccc23)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione?
The InChIKey is HCHUKOXMVCJWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c25-15-4-6-22-19(11-15)23(32)24(33)30(22)13-17(14-31)27-8-1-2-9-28-20-7-10-29-21-12-16(26)3-5-18(20)21/h3-7,10-12,17,27,31H,1-2,8-9,13-14H2,(H,28,29).
What are the key properties of 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione?
5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione has a molecular weight of 487.39 g/mol, XLogP of 3.91, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-hydroxypropyl]indole-2,3-dione is sourced from PubChem (CID 118709389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).