4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine

C21H25N5O3 — CID 145077882

IUPAC4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine
SMILESCc1nc2cccc(O)c2c(N)c1C(=O)O.c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C11H10N2O3.C10H15N3/c1-5-8(11(15)16)10(12)9-6(13-5)3-2-4-7(9)14;1-2-4-9(5-3-1)13-10-8-11-6-7-12-10/h2-4,14H,1H3,(H2,12,13)(H,15,16);6-9H,1-5H2,(H,12,13)
InChIKeyMJEPVPRDRXARGH-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.75
Rot. Bonds3

About 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine

4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine (PubChem CID 145077882) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine.

Molecular Properties

Compound Name4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine
PubChem CID145077882
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine
SMILESCc1nc2cccc(O)c2c(N)c1C(=O)O.c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C11H10N2O3.C10H15N3/c1-5-8(11(15)16)10(12)9-6(13-5)3-2-4-7(9)14;1-2-4-9(5-3-1)13-10-8-11-6-7-12-10/h2-4,14H,1H3,(H2,12,13)(H,15,16);6-9H,1-5H2,(H,12,13)
InChIKeyMJEPVPRDRXARGH-UHFFFAOYSA-N
XLogP3.75
TPSA134.25 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-(6-Hydroxyquinoxalin-2-yl)piperazine-4-carboxamido)benzoic acid
CID 135401973
2-({2-[(3-Hydroxy-2-methylphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
CID 23647259
2-(1-(8-Hydroxyquinoxalin-2-yl)piperazine-4-carboxamido)benzoic acid
CID 135401974
2-(1-(7-Hydroxyquinoxalin-2-yl)piperazine-4-carboxamido)benzoic acid
CID 135401975
Methyl 4-hydroxy-3-[4-(pyridin-3-ylmethylamino)quinazolin-2-yl]benzoate
CID 142747612
3-(Cyclopropylamino)-5-(3-methoxyanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 57664185
4-(((2-(4-Methylpiperazin-1-yl)pyridin-3-yl)methyl)amino)quinoline-3-carboxylic acid
CID 138002896
5-fluoro-6-[[(1R,2S)-2-methylcyclohexyl]amino]-2-(quinolin-3-ylamino)pyridine-3-carboxylic acid
CID 89553403
4-Amino-5-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121444115
Cyclopropyl-[6-(3-fluoro-4-hydroxy-5-methylphenyl)-4-[[6-(pyrrolidin-3-ylamino)-3-pyridinyl]amino]quinolin-3-yl]methanone
CID 144323387
8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
CID 146759853
(6R,16R)-9-fluoro-16-methyl-13-oxa-2,17,21,25-tetrazapentacyclo[16.6.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,18(26),19,21,23-octaene-19-carboxylic acid
CID 156383701

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine?
The IUPAC name of 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine (CID 145077882) is 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine.
What is the SMILES notation for 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine?
The canonical SMILES for 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine is Cc1nc2cccc(O)c2c(N)c1C(=O)O.c1cnc(NC2CCCCC2)cn1.
What is the InChIKey of 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine?
The InChIKey is MJEPVPRDRXARGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3.C10H15N3/c1-5-8(11(15)16)10(12)9-6(13-5)3-2-4-7(9)14;1-2-4-9(5-3-1)13-10-8-11-6-7-12-10/h2-4,14H,1H3,(H2,12,13)(H,15,16);6-9H,1-5H2,(H,12,13).
What are the key properties of 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine?
4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine is sourced from PubChem (CID 145077882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).