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

C15H17N3O — CID 43642494

IUPAC(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCn1cc(N)cc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H17N3O/c1-17-10-13(16)8-14(17)15(19)18-7-6-11-4-2-3-5-12(11)9-18/h2-5,8,10H,6-7,9,16H2,1H3
InChIKeyKAKMSDPXQUKGLH-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.81
Rot. Bonds1

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

(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 43642494) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID43642494
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCn1cc(N)cc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C15H17N3O/c1-17-10-13(16)8-14(17)15(19)18-7-6-11-4-2-3-5-12(11)9-18/h2-5,8,10H,6-7,9,16H2,1H3
InChIKeyKAKMSDPXQUKGLH-UHFFFAOYSA-N
XLogP1.81
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 42440770
(5-amino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81319420
(4-bromo-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43641097
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 28707219
3,4-dihydro-1H-isoquinolin-2-yl-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
CID 84575628
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methylquinolin-4-one
CID 30131761
2-bromo-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 71668783
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 5087204
(4-chloro-1-methylpyrazol-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 728261
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 43642494) is (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cn1cc(N)cc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is KAKMSDPXQUKGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-17-10-13(16)8-14(17)15(19)18-7-6-11-4-2-3-5-12(11)9-18/h2-5,8,10H,6-7,9,16H2,1H3.
What are the key properties of (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 43642494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).