3-(ethylamino)-N-quinoxalin-6-ylbutanamide

C14H18N4O — CID 62839375

IUPAC3-(ethylamino)-N-quinoxalin-6-ylbutanamide
SMILESCCNC(C)CC(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C14H18N4O/c1-3-15-10(2)8-14(19)18-11-4-5-12-13(9-11)17-7-6-16-12/h4-7,9-10,15H,3,8H2,1-2H3,(H,18,19)
InChIKeySZHKHDLAIKMBDH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.96
Rot. Bonds5

About 3-(ethylamino)-N-quinoxalin-6-ylbutanamide

3-(ethylamino)-N-quinoxalin-6-ylbutanamide (PubChem CID 62839375) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(ethylamino)-N-quinoxalin-6-ylbutanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-quinoxalin-6-ylbutanamide
PubChem CID62839375
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(ethylamino)-N-quinoxalin-6-ylbutanamide
SMILESCCNC(C)CC(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C14H18N4O/c1-3-15-10(2)8-14(19)18-11-4-5-12-13(9-11)17-7-6-16-12/h4-7,9-10,15H,3,8H2,1-2H3,(H,18,19)
InChIKeySZHKHDLAIKMBDH-UHFFFAOYSA-N
XLogP1.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
5-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 82011452
3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 47254889
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
N-[6-(dimethylamino)-3-pyridinyl]-3-(ethylamino)butanamide
CID 62838640
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide
CID 62838808
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
2-chloro-N-quinoxalin-6-ylpropanamide
CID 60933766
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-quinoxalin-6-ylbutanamide?
The IUPAC name of 3-(ethylamino)-N-quinoxalin-6-ylbutanamide (CID 62839375) is 3-(ethylamino)-N-quinoxalin-6-ylbutanamide.
What is the SMILES notation for 3-(ethylamino)-N-quinoxalin-6-ylbutanamide?
The canonical SMILES for 3-(ethylamino)-N-quinoxalin-6-ylbutanamide is CCNC(C)CC(=O)Nc1ccc2nccnc2c1.
What is the InChIKey of 3-(ethylamino)-N-quinoxalin-6-ylbutanamide?
The InChIKey is SZHKHDLAIKMBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-15-10(2)8-14(19)18-11-4-5-12-13(9-11)17-7-6-16-12/h4-7,9-10,15H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(ethylamino)-N-quinoxalin-6-ylbutanamide?
3-(ethylamino)-N-quinoxalin-6-ylbutanamide has a molecular weight of 258.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-quinoxalin-6-ylbutanamide is sourced from PubChem (CID 62839375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).