7-(dipropylamino)-N,2-dioxochromene-3-carboxamide

C16H18N2O4 — CID 118983417

IUPAC7-(dipropylamino)-N,2-dioxochromene-3-carboxamide
SMILESCCCN(CCC)c1ccc2cc(C(=O)N=O)c(=O)oc2c1
InChIInChI=1S/C16H18N2O4/c1-3-7-18(8-4-2)12-6-5-11-9-13(15(19)17-21)16(20)22-14(11)10-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyFBZVMRPLTDZJQF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.33
Rot. Bonds6

About 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide

7-(dipropylamino)-N,2-dioxochromene-3-carboxamide (PubChem CID 118983417) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide.

Molecular Properties

Compound Name7-(dipropylamino)-N,2-dioxochromene-3-carboxamide
PubChem CID118983417
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name7-(dipropylamino)-N,2-dioxochromene-3-carboxamide
SMILESCCCN(CCC)c1ccc2cc(C(=O)N=O)c(=O)oc2c1
InChIInChI=1S/C16H18N2O4/c1-3-7-18(8-4-2)12-6-5-11-9-13(15(19)17-21)16(20)22-14(11)10-12/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyFBZVMRPLTDZJQF-UHFFFAOYSA-N
XLogP3.33
TPSA79.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
3-tert-butyl-7-(dipropylamino)chromen-2-one
CID 86168184
4-[7-(diethylamino)-2-oxochromene-3-carbonyl]benzoic acid
CID 23510542
7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide
CID 54453751
7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride
CID 14729871
3-acetyl-7-[2-fluoroethyl(methyl)amino]chromen-2-one
CID 86046729
7-(diethylamino)-3-(thiane-2-carbonyl)chromen-2-one
CID 139711899
7-(diethylamino)-N-[2-(hexanoylamino)ethyl]-2-oxochromene-3-carboxamide
CID 146294501
7-(diethylamino)-3-(imidazole-1-carbonyl)chromen-2-one
CID 5083976
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-(3-azidopropyl)-7-(diethylamino)-2-oxochromene-3-carboxamide
CID 177467285

Frequently Asked Questions

What is the IUPAC name of 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide?
The IUPAC name of 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide (CID 118983417) is 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide.
What is the SMILES notation for 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide?
The canonical SMILES for 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide is CCCN(CCC)c1ccc2cc(C(=O)N=O)c(=O)oc2c1.
What is the InChIKey of 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide?
The InChIKey is FBZVMRPLTDZJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-3-7-18(8-4-2)12-6-5-11-9-13(15(19)17-21)16(20)22-14(11)10-12/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide?
7-(dipropylamino)-N,2-dioxochromene-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dipropylamino)-N,2-dioxochromene-3-carboxamide is sourced from PubChem (CID 118983417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).