6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one

C23H31NO4 — CID 5270977

IUPAC6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
SMILESCCCc1cc(=O)oc2c(C(CC)NCC)c(OC)c3c(c12)OC(C)(C)C=C3
InChIInChI=1S/C23H31NO4/c1-7-10-14-13-17(25)27-22-18(14)21-15(11-12-23(4,5)28-21)20(26-6)19(22)16(8-2)24-9-3/h11-13,16,24H,7-10H2,1-6H3
InChIKeyJQDHLUOKFDBXQE-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.00
Rot. Bonds7

About 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one

6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one (PubChem CID 5270977) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one.

Molecular Properties

Compound Name6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
PubChem CID5270977
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
SMILESCCCc1cc(=O)oc2c(C(CC)NCC)c(OC)c3c(c12)OC(C)(C)C=C3
InChIInChI=1S/C23H31NO4/c1-7-10-14-13-17(25)27-22-18(14)21-15(11-12-23(4,5)28-21)20(26-6)19(22)16(8-2)24-9-3/h11-13,16,24H,7-10H2,1-6H3
InChIKeyJQDHLUOKFDBXQE-UHFFFAOYSA-N
XLogP5.00
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one?
The IUPAC name of 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one (CID 5270977) is 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one.
What is the SMILES notation for 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one?
The canonical SMILES for 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one is CCCc1cc(=O)oc2c(C(CC)NCC)c(OC)c3c(c12)OC(C)(C)C=C3.
What is the InChIKey of 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one?
The InChIKey is JQDHLUOKFDBXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-7-10-14-13-17(25)27-22-18(14)21-15(11-12-23(4,5)28-21)20(26-6)19(22)16(8-2)24-9-3/h11-13,16,24H,7-10H2,1-6H3.
What are the key properties of 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one?
6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one has a molecular weight of 385.50 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one is sourced from PubChem (CID 5270977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).