3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one

C17H16ClNO — CID 178050308

IUPAC3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
SMILESCC(C)c1ccc2c(c1)c(=O)n(C)c1cc(Cl)ccc21
InChIInChI=1S/C17H16ClNO/c1-10(2)11-4-6-13-14-7-5-12(18)9-16(14)19(3)17(20)15(13)8-11/h4-10H,1-3H3
InChIKeyMNKAMBZKSJHSRR-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.47
Rot. Bonds1

About 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one

3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one (PubChem CID 178050308) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one.

Molecular Properties

Compound Name3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
PubChem CID178050308
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one
SMILESCC(C)c1ccc2c(c1)c(=O)n(C)c1cc(Cl)ccc21
InChIInChI=1S/C17H16ClNO/c1-10(2)11-4-6-13-14-7-5-12(18)9-16(14)19(3)17(20)15(13)8-11/h4-10H,1-3H3
InChIKeyMNKAMBZKSJHSRR-UHFFFAOYSA-N
XLogP4.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1,4-dimethyl-3-propan-2-ylquinolin-2-one
CID 146630321
(2S)-2-(6-chloro-9-methylcarbazol-2-yl)propanoic acid
CID 124518181
2,6,8,12-tetra(propan-2-yl)chrysene
CID 164832540
7-chloro-1,4-dimethyl-2-oxoquinoline-3-carbaldehyde
CID 84628273
N-(8-chloro-6-methyl-5-oxobenzo[c][2,7]naphthyridin-2-yl)acetamide
CID 86710349
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride
CID 170733582
2,6-dichloro-1,3-dimethylindole
CID 117127818
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
CID 134324128
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
3-chloro-5-methylindeno[2,1-b]quinoline-6,11-dione
CID 122194424

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one?
The IUPAC name of 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one (CID 178050308) is 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one.
What is the SMILES notation for 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one?
The canonical SMILES for 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one is CC(C)c1ccc2c(c1)c(=O)n(C)c1cc(Cl)ccc21.
What is the InChIKey of 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one?
The InChIKey is MNKAMBZKSJHSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-10(2)11-4-6-13-14-7-5-12(18)9-16(14)19(3)17(20)15(13)8-11/h4-10H,1-3H3.
What are the key properties of 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one?
3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one has a molecular weight of 285.77 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-8-propan-2-ylphenanthridin-6-one is sourced from PubChem (CID 178050308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).