(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C23H25N3O2 — CID 110628207

IUPAC(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1ccc2c(c1)CCN(C(=O)c1c(C)noc1C(C)C)C2c1cccnc1
InChIInChI=1S/C23H25N3O2/c1-14(2)22-20(16(4)25-28-22)23(27)26-11-9-17-12-15(3)7-8-19(17)21(26)18-6-5-10-24-13-18/h5-8,10,12-14,21H,9,11H2,1-4H3
InChIKeyLUKONFBQHGKKMJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.60
Rot. Bonds3

About (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110628207) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110628207
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1ccc2c(c1)CCN(C(=O)c1c(C)noc1C(C)C)C2c1cccnc1
InChIInChI=1S/C23H25N3O2/c1-14(2)22-20(16(4)25-28-22)23(27)26-11-9-17-12-15(3)7-8-19(17)21(26)18-6-5-10-24-13-18/h5-8,10,12-14,21H,9,11H2,1-4H3
InChIKeyLUKONFBQHGKKMJ-UHFFFAOYSA-N
XLogP4.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289094
(3-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289095
(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289077
6-methyl-N-(2-methylpropyl)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110628203
(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110307925
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
CID 86286576
(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400518
(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524
(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 70762419
N-propyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110400562

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110628207) is (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1ccc2c(c1)CCN(C(=O)c1c(C)noc1C(C)C)C2c1cccnc1.
What is the InChIKey of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is LUKONFBQHGKKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14(2)22-20(16(4)25-28-22)23(27)26-11-9-17-12-15(3)7-8-19(17)21(26)18-6-5-10-24-13-18/h5-8,10,12-14,21H,9,11H2,1-4H3.
What are the key properties of (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110628207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).