8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one

C17H23NO4 — CID 5270980

IUPAC8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(N)CC)c(OC)cc(OC)c12
InChIInChI=1S/C17H23NO4/c1-5-7-10-8-14(19)22-17-15(10)12(20-3)9-13(21-4)16(17)11(18)6-2/h8-9,11H,5-7,18H2,1-4H3
InChIKeyZTEIEGREBBPWTD-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.17
Rot. Bonds6

About 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one

8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one (PubChem CID 5270980) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one.

Molecular Properties

Compound Name8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one
PubChem CID5270980
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(N)CC)c(OC)cc(OC)c12
InChIInChI=1S/C17H23NO4/c1-5-7-10-8-14(19)22-17-15(10)12(20-3)9-13(21-4)16(17)11(18)6-2/h8-9,11H,5-7,18H2,1-4H3
InChIKeyZTEIEGREBBPWTD-UHFFFAOYSA-N
XLogP3.17
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(1-aminoethyl)-5,7-di(propan-2-yloxy)-4-propylchromen-2-one;ethane
CID 142170897
8-(1-hydroxypropyl)-5,7-di(propan-2-yloxy)-4-propylchromen-2-one
CID 5275315
5,7-dimethoxy-4-pentyl-8-[3-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)propyl]chromen-2-one
CID 16746410
8-methoxy-4-propylchromen-2-one
CID 42602895
5,7-dimethoxy-8-[1-(4-methoxyphenyl)-3-piperidin-1-ylpropyl]-4-pentylchromen-2-one
CID 16746323
6-[1-(ethylamino)propyl]-5-methoxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
CID 5270977
5,7-diethoxy-8-[(E)-2-methylbut-2-enoyl]-4-propylchromen-2-one
CID 5468947
5-[(1R,2S)-1,2-dihydroxybutyl]-4-methoxy-6-methylpyran-2-one
CID 139588650
5-ethoxy-6-(1-hydroxypropyl)-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
CID 3001668
7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
3,4-dimethyl-9-propylfuro[2,3-f]chromen-7-one
CID 707841
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 933118

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one?
The IUPAC name of 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one (CID 5270980) is 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one.
What is the SMILES notation for 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one?
The canonical SMILES for 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one is CCCc1cc(=O)oc2c(C(N)CC)c(OC)cc(OC)c12.
What is the InChIKey of 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one?
The InChIKey is ZTEIEGREBBPWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-5-7-10-8-14(19)22-17-15(10)12(20-3)9-13(21-4)16(17)11(18)6-2/h8-9,11H,5-7,18H2,1-4H3.
What are the key properties of 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one?
8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one has a molecular weight of 305.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one is sourced from PubChem (CID 5270980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).