5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one

C27H26N2O3 — CID 71549074

IUPAC5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3cccnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C27H26N2O3/c1-18-14-24-27(23(15-25(30)32-24)22-4-3-9-28-16-22)19(2)26(18)21-7-5-20(6-8-21)17-29-10-12-31-13-11-29/h3-9,14-16H,10-13,17H2,1-2H3
InChIKeyHDJFSGAJOLMWTO-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.97
Rot. Bonds4

About 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one

5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one (PubChem CID 71549074) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one
PubChem CID71549074
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one
SMILESCc1cc2oc(=O)cc(-c3cccnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C27H26N2O3/c1-18-14-24-27(23(15-25(30)32-24)22-4-3-9-28-16-22)19(2)26(18)21-7-5-20(6-8-21)17-29-10-12-31-13-11-29/h3-9,14-16H,10-13,17H2,1-2H3
InChIKeyHDJFSGAJOLMWTO-UHFFFAOYSA-N
XLogP4.97
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
3-Ethoxy-5-(6-methoxynaphthalen-2-yl)pyridine
CID 25034346
6-Phenyl-7-piperidin-3-yloxyisoquinoline
CID 42618153
6-Phenyl-7-(piperidin-3-ylmethoxy)isoquinoline
CID 42618154
[3-(5-Methoxy-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 11782656
[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 44358574
(R)-3-(4-(3-(4-ethyl-2-(pyridin-4-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11235859
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794679
3-(4-((R)-3-(4-ethyl-2-(pyridin-3-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 44439626
AM432 sodium
CID 50901657
5,7-Dimethyl-4-phenyl-6-(4-pyridyl)chromen-2-one
CID 71549486
7-(Pyridin-3-yl) coumarin
CID 137662301

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one?
The IUPAC name of 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one (CID 71549074) is 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one.
What is the SMILES notation for 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one?
The canonical SMILES for 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one is Cc1cc2oc(=O)cc(-c3cccnc3)c2c(C)c1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one?
The InChIKey is HDJFSGAJOLMWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-18-14-24-27(23(15-25(30)32-24)22-4-3-9-28-16-22)19(2)26(18)21-7-5-20(6-8-21)17-29-10-12-31-13-11-29/h3-9,14-16H,10-13,17H2,1-2H3.
What are the key properties of 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one?
5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one has a molecular weight of 426.52 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]-4-pyridin-3-ylchromen-2-one is sourced from PubChem (CID 71549074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).