3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one

C18H17NO4 — CID 5392010

IUPAC3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
SMILESO=c1oc2c(CN3CCOCC3)c(O)ccc2c2ccccc12
InChIInChI=1S/C18H17NO4/c20-16-6-5-13-12-3-1-2-4-14(12)18(21)23-17(13)15(16)11-19-7-9-22-10-8-19/h1-6,20H,7-11H2
InChIKeyKCLFRHGSQKKHMU-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.48
Rot. Bonds2

About 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one

3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one (PubChem CID 5392010) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
PubChem CID5392010
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
SMILESO=c1oc2c(CN3CCOCC3)c(O)ccc2c2ccccc12
InChIInChI=1S/C18H17NO4/c20-16-6-5-13-12-3-1-2-4-14(12)18(21)23-17(13)15(16)11-19-7-9-22-10-8-19/h1-6,20H,7-11H2
InChIKeyKCLFRHGSQKKHMU-UHFFFAOYSA-N
XLogP2.48
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one
CID 5398300
7-hydroxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-2-one;hydrochloride
CID 21159653
7-hydroxy-8-(morpholin-4-ylmethyl)-3-phenylchromen-4-one;hydrochloride
CID 126476287
7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 5417114
3-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzo[c]chromen-6-one
CID 6309365
7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholin-4-ylmethyl)chromen-2-one
CID 6263219
4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-hydroxybenzo[c]chromen-6-one
CID 7898281
[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 26026735
3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
CID 12823160
2-(furan-2-yl)-6-hydroxy-5-(morpholin-4-ylmethyl)chromen-4-one
CID 1426444
7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-phenylchromen-2-one
CID 5389371
3-benzyl-7-hydroxy-4-methyl-8-[(2-morpholin-4-ylethylamino)methyl]chromen-2-one;hydrochloride
CID 44668101

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one?
The IUPAC name of 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one (CID 5392010) is 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one is O=c1oc2c(CN3CCOCC3)c(O)ccc2c2ccccc12.
What is the InChIKey of 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one?
The InChIKey is KCLFRHGSQKKHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-16-6-5-13-12-3-1-2-4-14(12)18(21)23-17(13)15(16)11-19-7-9-22-10-8-19/h1-6,20H,7-11H2.
What are the key properties of 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one?
3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one has a molecular weight of 311.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(morpholin-4-ylmethyl)benzo[c]chromen-6-one is sourced from PubChem (CID 5392010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).