1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one

C31H36N6O5 — CID 131942407

IUPAC1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one
SMILESCOc1ccc2c(c1)C(C(=O)N1CCC3(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC3=O)CC(=O)N2
InChIInChI=1S/C31H36N6O5/c1-41-24-7-8-27-25(17-24)26(18-28(38)33-27)29(39)36-14-10-31(11-15-36)19-22-20-37(35-34-22)13-2-16-42-23-5-3-21(4-6-23)9-12-32-30(31)40/h3-8,17,20,26H,2,9-16,18-19H2,1H3,(H,32,40)(H,33,38)
InChIKeyBSEUWTUEWZFZGW-UHFFFAOYSA-N
MW572.67 g/mol
LogP2.71
Rot. Bonds2

About 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one

1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one (PubChem CID 131942407) has the molecular formula C31H36N6O5 and a molecular weight of 572.67 g/mol. Its IUPAC name is 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one.

Molecular Properties

Compound Name1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one
PubChem CID131942407
Molecular FormulaC31H36N6O5
Molecular Weight572.67 g/mol
Exact Mass572.27
IUPAC Name1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one
SMILESCOc1ccc2c(c1)C(C(=O)N1CCC3(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC3=O)CC(=O)N2
InChIInChI=1S/C31H36N6O5/c1-41-24-7-8-27-25(17-24)26(18-28(38)33-27)29(39)36-14-10-31(11-15-36)19-22-20-37(35-34-22)13-2-16-42-23-5-3-21(4-6-23)9-12-32-30(31)40/h3-8,17,20,26H,2,9-16,18-19H2,1H3,(H,32,40)(H,33,38)
InChIKeyBSEUWTUEWZFZGW-UHFFFAOYSA-N
XLogP2.71
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.67
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one with MolForge

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Related Compounds

1'-(5-methyl-1,2-oxazole-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one
CID 131951536
6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70777457
(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97110676
4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 70749955
(7S)-7-benzyl-1'-(cyclopentanecarbonyl)spiro[1,5,8,13,14-pentazabicyclo[10.2.1]pentadeca-12(15),13-diene-10,4'-piperidine]-6,9-dione
CID 131942428
(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97113259
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 97124904
N-[2-(1H-imidazol-5-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70767350
(7S)-7-benzyl-1'-(4-methoxy-3-methylbenzoyl)spiro[1,5,8,13,14-pentazabicyclo[10.2.1]pentadeca-12(15),13-diene-10,4'-piperidine]-6,9-dione
CID 131942877
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
2-ethyl-8-(6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70704944

Frequently Asked Questions

What is the IUPAC name of 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one?
The IUPAC name of 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one (CID 131942407) is 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one.
What is the SMILES notation for 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one?
The canonical SMILES for 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one is COc1ccc2c(c1)C(C(=O)N1CCC3(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC3=O)CC(=O)N2.
What is the InChIKey of 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one?
The InChIKey is BSEUWTUEWZFZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O5/c1-41-24-7-8-27-25(17-24)26(18-28(38)33-27)29(39)36-14-10-31(11-15-36)19-22-20-37(35-34-22)13-2-16-42-23-5-3-21(4-6-23)9-12-32-30(31)40/h3-8,17,20,26H,2,9-16,18-19H2,1H3,(H,32,40)(H,33,38).
What are the key properties of 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one?
1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one has a molecular weight of 572.67 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one is sourced from PubChem (CID 131942407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).