8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C32H36N6O5 — CID 146317380

IUPAC8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCN(C)CC5)C4)o3)ccc2n1
InChIInChI=1S/C32H36N6O5/c1-21-8-9-22-18-23(10-11-24(22)35-21)28-20-34-30(42-28)25(6-4-3-5-7-27(39)31-33-14-17-41-31)36-29(40)26-19-32(43-37-26)12-15-38(2)16-13-32/h8-11,14,17-18,20,25H,3-7,12-13,15-16,19H2,1-2H3,(H,36,40)/t25-/m0/s1
InChIKeyPUEARBDMIVCNMP-VWLOTQADSA-N
MW584.68 g/mol
LogP5.42
Rot. Bonds11

About 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 146317380) has the molecular formula C32H36N6O5 and a molecular weight of 584.68 g/mol. Its IUPAC name is 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID146317380
Molecular FormulaC32H36N6O5
Molecular Weight584.68 g/mol
Exact Mass584.27
IUPAC Name8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCN(C)CC5)C4)o3)ccc2n1
InChIInChI=1S/C32H36N6O5/c1-21-8-9-22-18-23(10-11-24(22)35-21)28-20-34-30(42-28)25(6-4-3-5-7-27(39)31-33-14-17-41-31)36-29(40)26-19-32(43-37-26)12-15-38(2)16-13-32/h8-11,14,17-18,20,25H,3-7,12-13,15-16,19H2,1-2H3,(H,36,40)/t25-/m0/s1
InChIKeyPUEARBDMIVCNMP-VWLOTQADSA-N
XLogP5.42
TPSA135.95 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.68
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 146317380) is 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is Cc1ccc2cc(-c3cnc([C@H](CCCCCC(=O)c4ncco4)NC(=O)C4=NOC5(CCN(C)CC5)C4)o3)ccc2n1.
What is the InChIKey of 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is PUEARBDMIVCNMP-VWLOTQADSA-N. The full InChI is InChI=1S/C32H36N6O5/c1-21-8-9-22-18-23(10-11-24(22)35-21)28-20-34-30(42-28)25(6-4-3-5-7-27(39)31-33-14-17-41-31)36-29(40)26-19-32(43-37-26)12-15-38(2)16-13-32/h8-11,14,17-18,20,25H,3-7,12-13,15-16,19H2,1-2H3,(H,36,40)/t25-/m0/s1.
What are the key properties of 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 584.68 g/mol, XLogP of 5.42, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 146317380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).