8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

C25H31ClN4O2 — CID 90947379

IUPAC8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc2[nH]c(=O)c3cnc(CC4CCCCC4)n3c2cc1Cl
InChIInChI=1S/C25H31ClN4O2/c26-19-13-21-20(12-18(19)24(31)28-14-17-9-5-2-6-10-17)29-25(32)22-15-27-23(30(21)22)11-16-7-3-1-4-8-16/h12-13,15-17H,1-11,14H2,(H,28,31)(H,29,32)
InChIKeyPVDPAQJTVFPCKH-UHFFFAOYSA-N
MW455.00 g/mol
LogP5.26
Rot. Bonds5

About 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide

8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 90947379) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
PubChem CID90947379
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc2[nH]c(=O)c3cnc(CC4CCCCC4)n3c2cc1Cl
InChIInChI=1S/C25H31ClN4O2/c26-19-13-21-20(12-18(19)24(31)28-14-17-9-5-2-6-10-17)29-25(32)22-15-27-23(30(21)22)11-16-7-3-1-4-8-16/h12-13,15-17H,1-11,14H2,(H,28,31)(H,29,32)
InChIKeyPVDPAQJTVFPCKH-UHFFFAOYSA-N
XLogP5.26
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.00
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198866
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
5-chloro-N-(cyclooctylmethyl)-2-piperazin-2-ylpyridine-4-carboxamide
CID 173184764
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018
N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
2-chloro-N-(cyclohexylmethyl)-5-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)methoxy]benzamide
CID 137152554
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide (CID 90947379) is 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is O=C(NCC1CCCCC1)c1cc2[nH]c(=O)c3cnc(CC4CCCCC4)n3c2cc1Cl.
What is the InChIKey of 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is PVDPAQJTVFPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c26-19-13-21-20(12-18(19)24(31)28-14-17-9-5-2-6-10-17)29-25(32)22-15-27-23(30(21)22)11-16-7-3-1-4-8-16/h12-13,15-17H,1-11,14H2,(H,28,31)(H,29,32).
What are the key properties of 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide?
8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 455.00 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,1-bis(cyclohexylmethyl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 90947379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).