(1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate

C30H31N5O5 — CID 91611866

IUPAC(1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate
SMILESCCN(CC)CCCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)OC4(C(N)=O)CC4)c3)c2cc1C#N
InChIInChI=1S/C30H31N5O5/c1-3-34(4-2)13-5-15-38-27-18-24-23(17-21(27)19-31)26(8-12-33-24)39-22-6-7-25-20(16-22)9-14-35(25)29(37)40-30(10-11-30)28(32)36/h6-9,12,14,16-18H,3-5,10-11,13,15H2,1-2H3,(H2,32,36)
InChIKeyYUUHWQUJUDERMQ-UHFFFAOYSA-N
MW541.61 g/mol
LogP4.97
Rot. Bonds11

About (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate

(1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate (PubChem CID 91611866) has the molecular formula C30H31N5O5 and a molecular weight of 541.61 g/mol. Its IUPAC name is (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate
PubChem CID91611866
Molecular FormulaC30H31N5O5
Molecular Weight541.61 g/mol
Exact Mass541.23
IUPAC Name(1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate
SMILESCCN(CC)CCCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)OC4(C(N)=O)CC4)c3)c2cc1C#N
InChIInChI=1S/C30H31N5O5/c1-3-34(4-2)13-5-15-38-27-18-24-23(17-21(27)19-31)26(8-12-33-24)39-22-6-7-25-20(16-22)9-14-35(25)29(37)40-30(10-11-30)28(32)36/h6-9,12,14,16-18H,3-5,10-11,13,15H2,1-2H3,(H2,32,36)
InChIKeyYUUHWQUJUDERMQ-UHFFFAOYSA-N
XLogP4.97
TPSA132.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.61
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate?
The IUPAC name of (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate (CID 91611866) is (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate.
What is the SMILES notation for (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate?
The canonical SMILES for (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate is CCN(CC)CCCOc1cc2nccc(Oc3ccc4c(ccn4C(=O)OC4(C(N)=O)CC4)c3)c2cc1C#N.
What is the InChIKey of (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate?
The InChIKey is YUUHWQUJUDERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O5/c1-3-34(4-2)13-5-15-38-27-18-24-23(17-21(27)19-31)26(8-12-33-24)39-22-6-7-25-20(16-22)9-14-35(25)29(37)40-30(10-11-30)28(32)36/h6-9,12,14,16-18H,3-5,10-11,13,15H2,1-2H3,(H2,32,36).
What are the key properties of (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate?
(1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate has a molecular weight of 541.61 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclopropyl) 5-[6-cyano-7-[3-(diethylamino)propoxy]quinolin-4-yl]oxyindole-1-carboxylate is sourced from PubChem (CID 91611866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).