4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide

C12H14N4O2 — CID 10514551

IUPAC4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide
SMILESCOCCNC(=O)c1nnc2ccccc2c1N
InChIInChI=1S/C12H14N4O2/c1-18-7-6-14-12(17)11-10(13)8-4-2-3-5-9(8)15-16-11/h2-5H,6-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyCVAPDVSITRWPIN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.59
Rot. Bonds4

About 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide

4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide (PubChem CID 10514551) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide
PubChem CID10514551
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide
SMILESCOCCNC(=O)c1nnc2ccccc2c1N
InChIInChI=1S/C12H14N4O2/c1-18-7-6-14-12(17)11-10(13)8-4-2-3-5-9(8)15-16-11/h2-5H,6-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyCVAPDVSITRWPIN-UHFFFAOYSA-N
XLogP0.59
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
4-amino-N-methyl-N-phenylcinnoline-3-carboxamide
CID 67104775
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
4-amino-6-chloro-N-propylcinnoline-3-carboxamide
CID 14012335
4-amino-N-benzyl-7-fluorocinnoline-3-carboxamide
CID 10685342
4-amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
N,3-bis(2-methoxyethyl)-4-oxoquinazoline-2-carboxamide
CID 39313481
4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid
CID 64604272

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide (CID 10514551) is 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide is COCCNC(=O)c1nnc2ccccc2c1N.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide?
The InChIKey is CVAPDVSITRWPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-7-6-14-12(17)11-10(13)8-4-2-3-5-9(8)15-16-11/h2-5H,6-7H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide?
4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)cinnoline-3-carboxamide is sourced from PubChem (CID 10514551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).