3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C19H17NO3 — CID 13381781

IUPAC3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESO=c1oc2cc(O)ccc2c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H17NO3/c21-14-6-7-16-15-8-9-20(11-13-4-2-1-3-5-13)12-17(15)19(22)23-18(16)10-14/h1-7,10,21H,8-9,11-12H2
InChIKeyXGMRSXYQDQLYOB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.06
Rot. Bonds2

About 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 13381781) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID13381781
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESO=c1oc2cc(O)ccc2c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C19H17NO3/c21-14-6-7-16-15-8-9-20(11-13-4-2-1-3-5-13)12-17(15)19(22)23-18(16)10-14/h1-7,10,21H,8-9,11-12H2
InChIKeyXGMRSXYQDQLYOB-UHFFFAOYSA-N
XLogP3.06
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-benzyl-10-hydroxy-5-oxo-3,4-dihydro-1H-chromeno[4,3-c]pyridin-8-yl)butanoic acid
CID 11003733
3-[4-(4-benzylpiperazin-1-yl)butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 78427207
ethyl 3-(2-benzyl-10-hydroxy-5-oxo-3,4-dihydro-1H-chromeno[4,3-c]pyridin-8-yl)butanoate
CID 10025186
3-benzyl-4,7-dihydroxychromen-2-one
CID 54682330
7-hydroxy-4-[[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]chromen-2-one
CID 139014900
propyl 3-(2-benzyl-10-hydroxy-5-oxo-3,4-dihydro-1H-chromeno[4,3-c]pyridin-8-yl)butanoate
CID 11812138
3-[3-(4-benzylpiperazin-1-yl)propanoyl]-7-hydroxychromen-2-one
CID 155543148
2-benzyl-10-hydroxy-8-[5-(4-methylphenyl)pentan-2-yl]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one;hydrochloride
CID 21438576
4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
CID 5322426
3,7-dihydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 164598328
3-[2-[ethyl(methyl)amino]propyl]-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
CID 13136978
7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 13381781) is 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is O=c1oc2cc(O)ccc2c2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is XGMRSXYQDQLYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-14-6-7-16-15-8-9-20(11-13-4-2-1-3-5-13)12-17(15)19(22)23-18(16)10-14/h1-7,10,21H,8-9,11-12H2.
What are the key properties of 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 307.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 13381781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).