3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone

C15H16N2O — CID 110762715

IUPAC3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C15H16N2O/c1-16-10-8-13(11-16)15(18)17-9-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyKBDJVWRSJHKSMR-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.62
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone

3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone (PubChem CID 110762715) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
PubChem CID110762715
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C15H16N2O/c1-16-10-8-13(11-16)15(18)17-9-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-8,10-11H,4,6,9H2,1H3
InChIKeyKBDJVWRSJHKSMR-UHFFFAOYSA-N
XLogP2.62
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydroindol-1-yl-(1-methylpyrrol-3-yl)methanone
CID 110762714
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26911087
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
(4-pyrrol-1-ylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10591515

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone (CID 110762715) is 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone is Cn1ccc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone?
The InChIKey is KBDJVWRSJHKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-16-10-8-13(11-16)15(18)17-9-4-6-12-5-2-3-7-14(12)17/h2-3,5,7-8,10-11H,4,6,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone has a molecular weight of 240.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 110762715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).