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

C39H41N9S — CID 159532001

IUPACN-(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
SMILESCc1ccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)cn1.Cc1ccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)s1
InChIInChI=1S/C20H21N5.C19H20N4S/c1-13(2)10-22-19-20-23-12-18(15-9-8-14(3)21-11-15)25(20)17-7-5-4-6-16(17)24-19;1-12(2)10-20-18-19-21-11-16(17-9-8-13(3)24-17)23(19)15-7-5-4-6-14(15)22-18/h4-9,11-13H,10H2,1-3H3,(H,22,24);4-9,11-12H,10H2,1-3H3,(H,20,22)
InChIKeyMDCQSWRIRYWWAE-UHFFFAOYSA-N
MW667.89 g/mol
LogP9.31
Rot. Bonds8

About 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

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 (PubChem CID 159532001) has the molecular formula C39H41N9S and a molecular weight of 667.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159532001
Molecular FormulaC39H41N9S
Molecular Weight667.89 g/mol
Exact Mass667.32
IUPAC NameN-(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
SMILESCc1ccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)cn1.Cc1ccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)s1
InChIInChI=1S/C20H21N5.C19H20N4S/c1-13(2)10-22-19-20-23-12-18(15-9-8-14(3)21-11-15)25(20)17-7-5-4-6-16(17)24-19;1-12(2)10-20-18-19-21-11-16(17-9-8-13(3)24-17)23(19)15-7-5-4-6-14(15)22-18/h4-9,11-13H,10H2,1-3H3,(H,22,24);4-9,11-12H,10H2,1-3H3,(H,20,22)
InChIKeyMDCQSWRIRYWWAE-UHFFFAOYSA-N
XLogP9.31
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.89
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

N-(2-methylpropyl)-1-pyridin-4-ylimidazo[1,2-a]quinoxalin-4-amine
CID 66601348
4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide
CID 161066976
N-(2-amino-2-oxoethyl)-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68763605
1-(4-methoxy-2-methylphenyl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine
CID 66601356
N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
CID 66601608
N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 163530972
2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 66601330
5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
CID 121457438
N'-[1-(3-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]ethane-1,2-diamine
CID 67545571
2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate
CID 134184515
3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 54757875
2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 147534440

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)cn1.Cc1ccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)s1.
What is the InChIKey of 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?
The InChIKey is MDCQSWRIRYWWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.C19H20N4S/c1-13(2)10-22-19-20-23-12-18(15-9-8-14(3)21-11-15)25(20)17-7-5-4-6-16(17)24-19;1-12(2)10-20-18-19-21-11-16(17-9-8-13(3)24-17)23(19)15-7-5-4-6-14(15)22-18/h4-9,11-13H,10H2,1-3H3,(H,22,24);4-9,11-12H,10H2,1-3H3,(H,20,22).
What are the key properties of 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?
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 has a molecular weight of 667.89 g/mol, XLogP of 9.31, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159532001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).