7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one

C23H25NO4 — CID 14750948

IUPAC7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(O)CNC3CCc4ccccc4C3)ccc12
InChIInChI=1S/C23H25NO4/c1-15-10-23(26)28-22-12-20(8-9-21(15)22)27-14-19(25)13-24-18-7-6-16-4-2-3-5-17(16)11-18/h2-5,8-10,12,18-19,24-25H,6-7,11,13-14H2,1H3
InChIKeyFBHUIKHFQQBYIN-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.99
Rot. Bonds6

About 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one

7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one (PubChem CID 14750948) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one
PubChem CID14750948
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(O)CNC3CCc4ccccc4C3)ccc12
InChIInChI=1S/C23H25NO4/c1-15-10-23(26)28-22-12-20(8-9-21(15)22)27-14-19(25)13-24-18-7-6-16-4-2-3-5-17(16)11-18/h2-5,8-10,12,18-19,24-25H,6-7,11,13-14H2,1H3
InChIKeyFBHUIKHFQQBYIN-UHFFFAOYSA-N
XLogP2.99
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

SR-59230A
CID 9888075
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 2998870
3-Benzyl-7-[2-hydroxy-3-(6-hydroxyhexylamino)propoxy]-4-methylchromen-2-one
CID 162516415
SR 59230A oxalate
CID 11957700
Sdccgsbi-0051098.P002
CID 11957701
1-(hexylamino)-3-[4-[7-[3-(hexylamino)-2-hydroxypropoxy]-2H-chromen-3-yl]phenoxy]propan-2-ol
CID 71583517
4-[3-(Cyclohexylamino)-2-hydroxypropoxy]chromen-2-one
CID 118734243
4-[3-(Dodecylamino)-2-hydroxypropoxy]chromen-2-one
CID 118734248
4-[2-hydroxy-3-[[(E)-octadec-9-enyl]amino]propoxy]chromen-2-one
CID 118734249
N-(2-hydroxy-2-phenylethyl)-2-((2-oxo-4-phenyl-2H-chromen-7-yl)oxy)propanamide
CID 4838288
1-{3-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-2-hydroxypropyl}piperidine-4-carboxamide
CID 45133659
3-Benzyl-7-[2-hydroxy-3-(3-hydroxypropylamino)propoxy]-4-methylchromen-2-one
CID 162516399

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one (CID 14750948) is 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCC(O)CNC3CCc4ccccc4C3)ccc12.
What is the InChIKey of 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one?
The InChIKey is FBHUIKHFQQBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15-10-23(26)28-22-12-20(8-9-21(15)22)27-14-19(25)13-24-18-7-6-16-4-2-3-5-17(16)11-18/h2-5,8-10,12,18-19,24-25H,6-7,11,13-14H2,1H3.
What are the key properties of 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one?
7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one is sourced from PubChem (CID 14750948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).