3-methyl-2-nonyl-1H-quinolin-4-one

C19H27NO — CID 599667

IUPAC3-methyl-2-nonyl-1H-quinolin-4-one
SMILESCCCCCCCCCc1[nH]c2ccccc2c(=O)c1C
InChIInChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h10-12,14H,3-9,13H2,1-2H3,(H,20,21)
InChIKeyWXEMUKVRWINVJS-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.13
Rot. Bonds8

About 3-methyl-2-nonyl-1H-quinolin-4-one

3-methyl-2-nonyl-1H-quinolin-4-one (PubChem CID 599667) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-methyl-2-nonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-nonyl-1H-quinolin-4-one
PubChem CID599667
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name3-methyl-2-nonyl-1H-quinolin-4-one
SMILESCCCCCCCCCc1[nH]c2ccccc2c(=O)c1C
InChIInChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h10-12,14H,3-9,13H2,1-2H3,(H,20,21)
InChIKeyWXEMUKVRWINVJS-UHFFFAOYSA-N
XLogP5.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-nonyl-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-nonyl-1H-quinolin-4-one (CID 599667) is 3-methyl-2-nonyl-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-nonyl-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-nonyl-1H-quinolin-4-one is CCCCCCCCCc1[nH]c2ccccc2c(=O)c1C.
What is the InChIKey of 3-methyl-2-nonyl-1H-quinolin-4-one?
The InChIKey is WXEMUKVRWINVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-3-4-5-6-7-8-9-13-17-15(2)19(21)16-12-10-11-14-18(16)20-17/h10-12,14H,3-9,13H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-2-nonyl-1H-quinolin-4-one?
3-methyl-2-nonyl-1H-quinolin-4-one has a molecular weight of 285.43 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-nonyl-1H-quinolin-4-one is sourced from PubChem (CID 599667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).