1,7-dimethyl-1,10-phenanthrolin-4-one

C14H12N2O — CID 15326117

IUPAC1,7-dimethyl-1,10-phenanthrolin-4-one
SMILESCc1ccnc2c1ccc1c(=O)ccn(C)c12
InChIInChI=1S/C14H12N2O/c1-9-5-7-15-13-10(9)3-4-11-12(17)6-8-16(2)14(11)13/h3-8H,1-2H3
InChIKeyMDIILVRUQHKVRY-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.40
Rot. Bonds

About 1,7-dimethyl-1,10-phenanthrolin-4-one

1,7-dimethyl-1,10-phenanthrolin-4-one (PubChem CID 15326117) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,7-dimethyl-1,10-phenanthrolin-4-one.

Molecular Properties

Compound Name1,7-dimethyl-1,10-phenanthrolin-4-one
PubChem CID15326117
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1,7-dimethyl-1,10-phenanthrolin-4-one
SMILESCc1ccnc2c1ccc1c(=O)ccn(C)c12
InChIInChI=1S/C14H12N2O/c1-9-5-7-15-13-10(9)3-4-11-12(17)6-8-16(2)14(11)13/h3-8H,1-2H3
InChIKeyMDIILVRUQHKVRY-UHFFFAOYSA-N
XLogP2.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-8-methoxy-1-methylquinolin-4-one
CID 14317101
1,4,7-trimethylpyrrolo[2,3-c]pyridine
CID 153487597
3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline
CID 175546630
3,4-dimethylimidazo[4,5-b]pyridin-7-one
CID 139493632
4,8-dimethylquinoline-6-carbaldehyde
CID 82573791
1-(4-methylquinolin-8-yl)piperidin-4-one
CID 46236776
3-methyl-3,8,14,21-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),2(6),4,7(12),8,10,13,15,17,19-decaene
CID 140949440
1-(4-methylquinolin-8-yl)ethanol
CID 82575957
4-methylquinoline-8-carboxylic acid
CID 12597844
24-methyl-19,24-diazahexacyclo[12.11.0.02,11.05,10.015,20.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,18,20,22-dodecaene
CID 140949511
4-methyl-8-pyridin-2-ylquinoline
CID 151677322
4,7-dimethyl-9-propan-2-ylbenzo[h]quinoline
CID 71048988

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-1,10-phenanthrolin-4-one?
The IUPAC name of 1,7-dimethyl-1,10-phenanthrolin-4-one (CID 15326117) is 1,7-dimethyl-1,10-phenanthrolin-4-one.
What is the SMILES notation for 1,7-dimethyl-1,10-phenanthrolin-4-one?
The canonical SMILES for 1,7-dimethyl-1,10-phenanthrolin-4-one is Cc1ccnc2c1ccc1c(=O)ccn(C)c12.
What is the InChIKey of 1,7-dimethyl-1,10-phenanthrolin-4-one?
The InChIKey is MDIILVRUQHKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-9-5-7-15-13-10(9)3-4-11-12(17)6-8-16(2)14(11)13/h3-8H,1-2H3.
What are the key properties of 1,7-dimethyl-1,10-phenanthrolin-4-one?
1,7-dimethyl-1,10-phenanthrolin-4-one has a molecular weight of 224.26 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-1,10-phenanthrolin-4-one is sourced from PubChem (CID 15326117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).