6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide

C24H19ClN4O3 — CID 156906318

IUPAC6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
SMILESCc1nocc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1
InChIInChI=1S/C24H19ClN4O3/c1-14-21(13-32-28-14)24(31)29-11-16-6-7-17(25)8-19(16)20(12-29)23(30)27-22-10-26-9-15-4-2-3-5-18(15)22/h2-10,13,20H,11-12H2,1H3,(H,27,30)
InChIKeyQYCQHFUQBZCSRT-UHFFFAOYSA-N
MW446.89 g/mol
LogP4.56
Rot. Bonds3

About 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide

6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide (PubChem CID 156906318) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
PubChem CID156906318
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC Name6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide
SMILESCc1nocc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1
InChIInChI=1S/C24H19ClN4O3/c1-14-21(13-32-28-14)24(31)29-11-16-6-7-17(25)8-19(16)20(12-29)23(30)27-22-10-26-9-15-4-2-3-5-18(15)22/h2-10,13,20H,11-12H2,1H3,(H,27,30)
InChIKeyQYCQHFUQBZCSRT-UHFFFAOYSA-N
XLogP4.56
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide (CID 156906318) is 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide is Cc1nocc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1.
What is the InChIKey of 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The InChIKey is QYCQHFUQBZCSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-14-21(13-32-28-14)24(31)29-11-16-6-7-17(25)8-19(16)20(12-29)23(30)27-22-10-26-9-15-4-2-3-5-18(15)22/h2-10,13,20H,11-12H2,1H3,(H,27,30).
What are the key properties of 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide?
6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide has a molecular weight of 446.89 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-isoquinolin-4-yl-2-(3-methyl-1,2-oxazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxamide is sourced from PubChem (CID 156906318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).