7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one

C29H29NO4 — CID 13370642

IUPAC7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)oc2cc(OCC(O)CNC3CCCC3)ccc12
InChIInChI=1S/C29H29NO4/c31-23(18-30-22-13-7-8-14-22)19-33-24-15-16-25-26(17-24)34-29(21-11-5-2-6-12-21)27(28(25)32)20-9-3-1-4-10-20/h1-6,9-12,15-17,22-23,30-31H,7-8,13-14,18-19H2
InChIKeyMSSKINBKRSPCJX-UHFFFAOYSA-N
MW455.55 g/mol
LogP5.40
Rot. Bonds8

About 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one

7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one (PubChem CID 13370642) has the molecular formula C29H29NO4 and a molecular weight of 455.55 g/mol. Its IUPAC name is 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one.

Molecular Properties

Compound Name7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one
PubChem CID13370642
Molecular FormulaC29H29NO4
Molecular Weight455.55 g/mol
Exact Mass455.21
IUPAC Name7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)oc2cc(OCC(O)CNC3CCCC3)ccc12
InChIInChI=1S/C29H29NO4/c31-23(18-30-22-13-7-8-14-22)19-33-24-15-16-25-26(17-24)34-29(21-11-5-2-6-12-21)27(28(25)32)20-9-3-1-4-10-20/h1-6,9-12,15-17,22-23,30-31H,7-8,13-14,18-19H2
InChIKeyMSSKINBKRSPCJX-UHFFFAOYSA-N
XLogP5.40
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Flavodilol
CID 54410
1-tert-Butylamino-3-(dibenzofuran-1-yloxy)-propan-2-ol
CID 23968266
7-(6-Amino-hexyloxy)-3-(4-hydroxy-phenyl)-chromen-4-one
CID 9819934
7-(3-tert-Butylamino-2-hydroxy-propoxy)-3',5'-dibenzyloxy-flavone
CID 11613980
7-[4-(4-Hydroxy-piperidin-1-yl)-butoxy]-2-phenyl-chromen-4-one
CID 14982992
7-[5-(4-Hydroxy-piperidin-1-yl)-pentyloxy]-2-phenyl-chromen-4-one
CID 14982993
7-[6-(4-Hydroxy-piperidin-1-yl)-hexyloxy]-2-phenyl-chromen-4-one
CID 14982994
7-[7-(4-Hydroxy-piperidin-1-yl)-heptyloxy]-2-phenyl-chromen-4-one
CID 14982995
7-[8-(4-Hydroxy-piperidin-1-yl)-octyloxy]-2-phenyl-chromen-4-one
CID 14982996
2-[3,5-bis(phenylmethoxy)phenyl]-7-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]chromen-4-one
CID 24178445
(S)-(+)-7-(2-hydroxy-3-iso-propylamino-propoxy)-3',5'-dihydroxy-flavone
CID 24960482
1-Hydroxy-3-[2-hydroxy-3-(propylamino)propoxy]xanthen-9-one
CID 53248766

Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one?
The IUPAC name of 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one (CID 13370642) is 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one.
What is the SMILES notation for 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one?
The canonical SMILES for 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one is O=c1c(-c2ccccc2)c(-c2ccccc2)oc2cc(OCC(O)CNC3CCCC3)ccc12.
What is the InChIKey of 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one?
The InChIKey is MSSKINBKRSPCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO4/c31-23(18-30-22-13-7-8-14-22)19-33-24-15-16-25-26(17-24)34-29(21-11-5-2-6-12-21)27(28(25)32)20-9-3-1-4-10-20/h1-6,9-12,15-17,22-23,30-31H,7-8,13-14,18-19H2.
What are the key properties of 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one?
7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one has a molecular weight of 455.55 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopentylamino)-2-hydroxypropoxy]-2,3-diphenylchromen-4-one is sourced from PubChem (CID 13370642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).