2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione

C27H29ClN4O3 — CID 171357178

IUPAC2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione
SMILESO=C1c2ccc(N3CCOCC3)cc2C(=O)N1CCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C27H29ClN4O3/c28-19-5-7-22-24(9-11-30-25(22)17-19)29-10-3-1-2-4-12-32-26(33)21-8-6-20(18-23(21)27(32)34)31-13-15-35-16-14-31/h5-9,11,17-18H,1-4,10,12-16H2,(H,29,30)
InChIKeyDIAFYNAJIHVAEB-UHFFFAOYSA-N
MW493.01 g/mol
LogP4.99
Rot. Bonds9

About 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione

2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione (PubChem CID 171357178) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione
PubChem CID171357178
Molecular FormulaC27H29ClN4O3
Molecular Weight493.01 g/mol
Exact Mass492.19
IUPAC Name2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione
SMILESO=C1c2ccc(N3CCOCC3)cc2C(=O)N1CCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C27H29ClN4O3/c28-19-5-7-22-24(9-11-30-25(22)17-19)29-10-3-1-2-4-12-32-26(33)21-8-6-20(18-23(21)27(32)34)31-13-15-35-16-14-31/h5-9,11,17-18H,1-4,10,12-16H2,(H,29,30)
InChIKeyDIAFYNAJIHVAEB-UHFFFAOYSA-N
XLogP4.99
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione with MolForge

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Related Compounds

6-bromo-2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]benzo[de]isoquinoline-1,3-dione
CID 155520429
6-chloro-N-(5-morpholin-4-ylpentyl)quinolin-4-amine
CID 134696041
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-morpholin-4-yl-2-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 46227112
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
CID 23016541
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione?
The IUPAC name of 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione (CID 171357178) is 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione.
What is the SMILES notation for 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione?
The canonical SMILES for 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione is O=C1c2ccc(N3CCOCC3)cc2C(=O)N1CCCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione?
The InChIKey is DIAFYNAJIHVAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O3/c28-19-5-7-22-24(9-11-30-25(22)17-19)29-10-3-1-2-4-12-32-26(33)21-8-6-20(18-23(21)27(32)34)31-13-15-35-16-14-31/h5-9,11,17-18H,1-4,10,12-16H2,(H,29,30).
What are the key properties of 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione?
2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione has a molecular weight of 493.01 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-5-morpholin-4-ylisoindole-1,3-dione is sourced from PubChem (CID 171357178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).