3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone

C19H18N4O2 — CID 109213841

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
SMILESCc1cc(Nc2ccnc(C(=O)N3CCc4ccccc4C3)c2)no1
InChIInChI=1S/C19H18N4O2/c1-13-10-18(22-25-13)21-16-6-8-20-17(11-16)19(24)23-9-7-14-4-2-3-5-15(14)12-23/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21,22)
InChIKeyVHEJRMQQFUVVHC-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.32
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone (PubChem CID 109213841) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
PubChem CID109213841
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
SMILESCc1cc(Nc2ccnc(C(=O)N3CCc4ccccc4C3)c2)no1
InChIInChI=1S/C19H18N4O2/c1-13-10-18(22-25-13)21-16-6-8-20-17(11-16)19(24)23-9-7-14-4-2-3-5-15(14)12-23/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21,22)
InChIKeyVHEJRMQQFUVVHC-UHFFFAOYSA-N
XLogP3.32
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone with MolForge

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Related Compounds

(4-anilino-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213775
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109213782
3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109259727
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815
[4-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109213829
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109216089
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methoxyethylamino)-2-pyridinyl]methanone
CID 109205870
3,4-dihydro-1H-isoquinolin-2-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109213831
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone
CID 109195037
3,4-dihydro-1H-isoquinolin-2-yl-[4-(furan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109209464
1,3-dihydroisoindol-2-yl-[4-(methylamino)-2-pyridinyl]methanone
CID 55049769
[2-(3-chloro-4-methylanilino)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109172358

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone (CID 109213841) is 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone is Cc1cc(Nc2ccnc(C(=O)N3CCc4ccccc4C3)c2)no1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone?
The InChIKey is VHEJRMQQFUVVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-10-18(22-25-13)21-16-6-8-20-17(11-16)19(24)23-9-7-14-4-2-3-5-15(14)12-23/h2-6,8,10-11H,7,9,12H2,1H3,(H,20,21,22).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone has a molecular weight of 334.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methanone is sourced from PubChem (CID 109213841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).