(3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C20H23NO — CID 110288878

IUPAC(3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cccc(C(=O)N2CCc3ccccc3C2C(C)C)c1
InChIInChI=1S/C20H23NO/c1-14(2)19-18-10-5-4-8-16(18)11-12-21(19)20(22)17-9-6-7-15(3)13-17/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyIWPMQCRFPNUUQR-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.39
Rot. Bonds2

About (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110288878) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110288878
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cccc(C(=O)N2CCc3ccccc3C2C(C)C)c1
InChIInChI=1S/C20H23NO/c1-14(2)19-18-10-5-4-8-16(18)11-12-21(19)20(22)17-9-6-7-15(3)13-17/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyIWPMQCRFPNUUQR-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Launch Full Analysis

Related Compounds

ethyl 1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10106025
N,N-dimethyl-4-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 110288886
7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one
CID 155954274
N,N,6-trimethyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110289048
[(1R)-6,7-dimethoxy-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methoxyphenyl)methanone
CID 92760405
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
3-methylsulfonyl-1-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110628080
(3,4-difluorophenyl)-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92767988
N-[3-oxo-3-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 110354331
[6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone
CID 4302060
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
(3-chlorophenyl)-[1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 46095487

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110288878) is (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1cccc(C(=O)N2CCc3ccccc3C2C(C)C)c1.
What is the InChIKey of (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is IWPMQCRFPNUUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14(2)19-18-10-5-4-8-16(18)11-12-21(19)20(22)17-9-6-7-15(3)13-17/h4-10,13-14,19H,11-12H2,1-3H3.
What are the key properties of (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 293.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110288878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).