6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide

C17H18N2O3 — CID 129010551

IUPAC6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide
SMILESC#CCNC(=O)c1cc2cc(N(CC)CC)ccc2oc1=O
InChIInChI=1S/C17H18N2O3/c1-4-9-18-16(20)14-11-12-10-13(19(5-2)6-3)7-8-15(12)22-17(14)21/h1,7-8,10-11H,5-6,9H2,2-3H3,(H,18,20)
InChIKeyHFYJIDRDGMFQRQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.00
Rot. Bonds5

About 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide

6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide (PubChem CID 129010551) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide
PubChem CID129010551
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide
SMILESC#CCNC(=O)c1cc2cc(N(CC)CC)ccc2oc1=O
InChIInChI=1S/C17H18N2O3/c1-4-9-18-16(20)14-11-12-10-13(19(5-2)6-3)7-8-15(12)22-17(14)21/h1,7-8,10-11H,5-6,9H2,2-3H3,(H,18,20)
InChIKeyHFYJIDRDGMFQRQ-UHFFFAOYSA-N
XLogP2.00
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide?
The IUPAC name of 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide (CID 129010551) is 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide is C#CCNC(=O)c1cc2cc(N(CC)CC)ccc2oc1=O.
What is the InChIKey of 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide?
The InChIKey is HFYJIDRDGMFQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-9-18-16(20)14-11-12-10-13(19(5-2)6-3)7-8-15(12)22-17(14)21/h1,7-8,10-11H,5-6,9H2,2-3H3,(H,18,20).
What are the key properties of 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide?
6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2-oxo-N-prop-2-ynylchromene-3-carboxamide is sourced from PubChem (CID 129010551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).