1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide

C13H14N4O3 — CID 115452525

IUPAC1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
InChIInChI=1S/C13H14N4O3/c14-6-13(3-4-13)12(20)15-7-1-2-8-9(5-7)17-11(19)10(18)16-8/h1-2,5H,3-4,6,14H2,(H,15,20)(H,16,18)(H,17,19)
InChIKeyNENWOHKWXDLBBY-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.11
Rot. Bonds3

About 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide (PubChem CID 115452525) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide
PubChem CID115452525
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
InChIInChI=1S/C13H14N4O3/c14-6-13(3-4-13)12(20)15-7-1-2-8-9(5-7)17-11(19)10(18)16-8/h1-2,5H,3-4,6,14H2,(H,15,20)(H,16,18)(H,17,19)
InChIKeyNENWOHKWXDLBBY-UHFFFAOYSA-N
XLogP-0.11
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 115182055
1-(aminomethyl)-N-(1H-indol-5-yl)cyclopentane-1-carboxamide
CID 81489854
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
1-(aminomethyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 80599055
1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
CID 115453515
3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)amino]-3-oxopropanoic acid
CID 62231775
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxobutanamide
CID 61249007
1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80588422
3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
CID 60836174
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 115452566
1-(aminomethyl)-N-(9H-fluoren-2-yl)cyclopropane-1-carboxamide
CID 80588288

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide (CID 115452525) is 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide is NCC1(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide?
The InChIKey is NENWOHKWXDLBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-6-13(3-4-13)12(20)15-7-1-2-8-9(5-7)17-11(19)10(18)16-8/h1-2,5H,3-4,6,14H2,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).