N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide

C15H20N4O — CID 62850042

IUPACN-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
SMILESCC(C)N(CCCN)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H20N4O/c1-11(2)19(9-3-6-16)15(20)12-4-5-13-14(10-12)18-8-7-17-13/h4-5,7-8,10-11H,3,6,9,16H2,1-2H3
InChIKeyUNKKBSZLALKEDC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds5

About N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide

N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide (PubChem CID 62850042) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
PubChem CID62850042
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
SMILESCC(C)N(CCCN)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H20N4O/c1-11(2)19(9-3-6-16)15(20)12-4-5-13-14(10-12)18-8-7-17-13/h4-5,7-8,10-11H,3,6,9,16H2,1-2H3
InChIKeyUNKKBSZLALKEDC-UHFFFAOYSA-N
XLogP1.83
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide (CID 62850042) is N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide is CC(C)N(CCCN)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide?
The InChIKey is UNKKBSZLALKEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19(9-3-6-16)15(20)12-4-5-13-14(10-12)18-8-7-17-13/h4-5,7-8,10-11H,3,6,9,16H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide?
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 62850042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).