2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid

C13H15N3O3 — CID 138525691

IUPAC2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid
SMILESCOc1nc2ccc(C(=O)O)cc2nc1NC(C)C
InChIInChI=1S/C13H15N3O3/c1-7(2)14-11-12(19-3)16-9-5-4-8(13(17)18)6-10(9)15-11/h4-7H,1-3H3,(H,14,15)(H,17,18)
InChIKeyWNDHHDQSGDBMSL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.16
Rot. Bonds4

About 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid

2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid (PubChem CID 138525691) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid
PubChem CID138525691
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid
SMILESCOc1nc2ccc(C(=O)O)cc2nc1NC(C)C
InChIInChI=1S/C13H15N3O3/c1-7(2)14-11-12(19-3)16-9-5-4-8(13(17)18)6-10(9)15-11/h4-7H,1-3H3,(H,14,15)(H,17,18)
InChIKeyWNDHHDQSGDBMSL-UHFFFAOYSA-N
XLogP2.16
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea
CID 86062344
(3-methoxy-6-methylquinoxalin-2-yl)carbamic acid
CID 91217663
2,3-dimethoxyquinoline-7-carboxylic acid
CID 67754459
(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
CID 90770827
(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
2-(propan-2-ylamino)quinazoline-6-carboxylic acid
CID 165494304
3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),5,7,10,12,14(19),15,17,20,22,24(29),25,27-pentadecaene-6,16,26-tricarboxylic acid;hexakis(yttrium)
CID 91866629
1-oxo-4-(propan-2-ylamino)-2H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carboxylic acid
CID 18449191
2,3-dimethoxy-4-(4-methoxyphenyl)quinoline-7-carboxylic acid
CID 67754522
3-[[4-(propan-2-ylamino)quinazolin-2-yl]amino]benzoic acid
CID 91966067
2-chloro-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid
CID 86670556
2,3-dichloro-N-propan-2-ylquinoxaline-6-carboxamide
CID 15158271

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid (CID 138525691) is 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid is COc1nc2ccc(C(=O)O)cc2nc1NC(C)C.
What is the InChIKey of 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid?
The InChIKey is WNDHHDQSGDBMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7(2)14-11-12(19-3)16-9-5-4-8(13(17)18)6-10(9)15-11/h4-7H,1-3H3,(H,14,15)(H,17,18).
What are the key properties of 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid?
2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(propan-2-ylamino)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 138525691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).