(4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C15H15BrN2O — CID 63373099

IUPAC(4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C15H15BrN2O/c1-10-6-11-4-2-3-5-14(11)18(9-10)15(19)13-7-12(16)8-17-13/h2-5,7-8,10,17H,6,9H2,1H3
InChIKeyKWLNHBVQDDSLAY-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.62
Rot. Bonds1

About (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 63373099) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID63373099
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC1Cc2ccccc2N(C(=O)c2cc(Br)c[nH]2)C1
InChIInChI=1S/C15H15BrN2O/c1-10-6-11-4-2-3-5-14(11)18(9-10)15(19)13-7-12(16)8-17-13/h2-5,7-8,10,17H,6,9H2,1H3
InChIKeyKWLNHBVQDDSLAY-UHFFFAOYSA-N
XLogP3.62
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
(2-amino-5-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107075293
3-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridazin-6-one
CID 110662902
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 166787570
5-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)furan-3-carboxylic acid
CID 104607589
1,3-benzodioxol-5-yl-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110602501
3-(dimethylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-yn-1-one
CID 166787642
(2-amino-1,3-thiazol-4-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63522293
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115540697

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 63373099) is (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC1Cc2ccccc2N(C(=O)c2cc(Br)c[nH]2)C1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KWLNHBVQDDSLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-6-11-4-2-3-5-14(11)18(9-10)15(19)13-7-12(16)8-17-13/h2-5,7-8,10,17H,6,9H2,1H3.
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 319.20 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 63373099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).