1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone

C27H27NO — CID 72698102

IUPAC1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)c2c(C3CCCCC3)cc3ccccc3n2c1C
InChIInChI=1S/C27H27NO/c1-18-25(19(2)29)26(21-13-7-4-8-14-21)27-23(20-11-5-3-6-12-20)17-22-15-9-10-16-24(22)28(18)27/h4,7-10,13-17,20H,3,5-6,11-12H2,1-2H3
InChIKeyQDDLXZPFZNWELC-UHFFFAOYSA-N
MW381.52 g/mol
LogP7.32
Rot. Bonds3

About 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone

1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone (PubChem CID 72698102) has the molecular formula C27H27NO and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone
PubChem CID72698102
Molecular FormulaC27H27NO
Molecular Weight381.52 g/mol
Exact Mass381.21
IUPAC Name1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)c2c(C3CCCCC3)cc3ccccc3n2c1C
InChIInChI=1S/C27H27NO/c1-18-25(19(2)29)26(21-13-7-4-8-14-21)27-23(20-11-5-3-6-12-20)17-22-15-9-10-16-24(22)28(18)27/h4,7-10,13-17,20H,3,5-6,11-12H2,1-2H3
InChIKeyQDDLXZPFZNWELC-UHFFFAOYSA-N
XLogP7.32
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone?
The IUPAC name of 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone (CID 72698102) is 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone is CC(=O)c1c(-c2ccccc2)c2c(C3CCCCC3)cc3ccccc3n2c1C.
What is the InChIKey of 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone?
The InChIKey is QDDLXZPFZNWELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO/c1-18-25(19(2)29)26(21-13-7-4-8-14-21)27-23(20-11-5-3-6-12-20)17-22-15-9-10-16-24(22)28(18)27/h4,7-10,13-17,20H,3,5-6,11-12H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone?
1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone has a molecular weight of 381.52 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone is sourced from PubChem (CID 72698102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).