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

C19H26N4O4 — CID 145077856

IUPAC2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(O)c2c(N)c1C(=O)O.NCC(=O)NC1CCCCC1
InChIInChI=1S/C11H10N2O3.C8H16N2O/c1-5-8(11(15)16)10(12)9-6(13-5)3-2-4-7(9)14;9-6-8(11)10-7-4-2-1-3-5-7/h2-4,14H,1H3,(H2,12,13)(H,15,16);7H,1-6,9H2,(H,10,11)
InChIKeyYGCPBQQSIXOPKF-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.92
Rot. Bonds3

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

2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid (PubChem CID 145077856) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid
PubChem CID145077856
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(O)c2c(N)c1C(=O)O.NCC(=O)NC1CCCCC1
InChIInChI=1S/C11H10N2O3.C8H16N2O/c1-5-8(11(15)16)10(12)9-6(13-5)3-2-4-7(9)14;9-6-8(11)10-7-4-2-1-3-5-7/h2-4,14H,1H3,(H2,12,13)(H,15,16);7H,1-6,9H2,(H,10,11)
InChIKeyYGCPBQQSIXOPKF-UHFFFAOYSA-N
XLogP1.92
TPSA151.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121328194
4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid;N-cyclohexylpyrazin-2-amine
CID 145077882
4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid
CID 56833188
4-amino-5-[3-(cyclopropylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylic acid
CID 66747375
4-amino-5-[4-[[2-(2-ethoxyethoxy)acetyl]amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121444091
4-amino-5-[2-(cyclopropanecarbonylamino)-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 90070133
4-amino-5-[[(2S)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]methoxy]-2-methylquinoline-3-carboxylic acid
CID 66745933
4-amino-2-methyl-5-[[4-(propan-2-ylcarbamoyl)cyclohexyl]methoxy]quinoline-3-carboxylic acid
CID 66746553
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid
CID 67435181
4-amino-5-[4-[[(2-methoxyacetyl)amino]methyl]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
CID 121318950
4-amino-2-methyl-5-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]quinoline-3-carboxylic acid
CID 66746125

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid (CID 145077856) is 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid is Cc1nc2cccc(O)c2c(N)c1C(=O)O.NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid?
The InChIKey is YGCPBQQSIXOPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3.C8H16N2O/c1-5-8(11(15)16)10(12)9-6(13-5)3-2-4-7(9)14;9-6-8(11)10-7-4-2-1-3-5-7/h2-4,14H,1H3,(H2,12,13)(H,15,16);7H,1-6,9H2,(H,10,11).
What are the key properties of 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid?
2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexylacetamide;4-amino-5-hydroxy-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 145077856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).