N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide

C30H30N6O — CID 163530972

IUPACN-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)NC(c4ccccn4)C4CC4)cc3)cnc12
InChIInChI=1S/C30H30N6O/c1-19(2)17-32-28-29-33-18-26(36(29)25-9-4-3-7-23(25)34-28)20-10-14-22(15-11-20)30(37)35-27(21-12-13-21)24-8-5-6-16-31-24/h3-11,14-16,18-19,21,27H,12-13,17H2,1-2H3,(H,32,34)(H,35,37)
InChIKeyDSYVHKDAJPTZIQ-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.89
Rot. Bonds8

About N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide

N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide (PubChem CID 163530972) has the molecular formula C30H30N6O and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
PubChem CID163530972
Molecular FormulaC30H30N6O
Molecular Weight490.61 g/mol
Exact Mass490.25
IUPAC NameN-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)NC(c4ccccn4)C4CC4)cc3)cnc12
InChIInChI=1S/C30H30N6O/c1-19(2)17-32-28-29-33-18-26(36(29)25-9-4-3-7-23(25)34-28)20-10-14-22(15-11-20)30(37)35-27(21-12-13-21)24-8-5-6-16-31-24/h3-11,14-16,18-19,21,27H,12-13,17H2,1-2H3,(H,32,34)(H,35,37)
InChIKeyDSYVHKDAJPTZIQ-UHFFFAOYSA-N
XLogP5.89
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68763605
N-(2-methylpropyl)-1-pyridin-4-ylimidazo[1,2-a]quinoxalin-4-amine
CID 66601348
2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 66601330
N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
CID 66601608
2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 147534440
N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(5-methylthiophen-2-yl)imidazo[1,2-a]quinoxalin-4-amine
CID 159532001
N-cyclopropyl-4-[4-(2,3-dihydroxypropylamino)-7,8-dimethylimidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68761182
pyridin-2-yl N-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]carbamate
CID 118377710
2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 160776843
1-(4-methoxy-2-methylphenyl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine
CID 66601356
N-cyclopropyl-4-[6-[2-(hydroxymethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976869
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
CID 67972903

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide?
The IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide (CID 163530972) is N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide?
The canonical SMILES for N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide is CC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)NC(c4ccccn4)C4CC4)cc3)cnc12.
What is the InChIKey of N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide?
The InChIKey is DSYVHKDAJPTZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O/c1-19(2)17-32-28-29-33-18-26(36(29)25-9-4-3-7-23(25)34-28)20-10-14-22(15-11-20)30(37)35-27(21-12-13-21)24-8-5-6-16-31-24/h3-11,14-16,18-19,21,27H,12-13,17H2,1-2H3,(H,32,34)(H,35,37).
What are the key properties of N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide?
N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide has a molecular weight of 490.61 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide is sourced from PubChem (CID 163530972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).